![C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI) Aworan Afihan](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)
Nọmba iforukọsilẹ CAS
163759-94-2
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 922.01 | - |
| pKa (Asọtẹlẹ) | 8.59± 0.40 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O))NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC) =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
ISOMERIC SMILES
C(OC[C@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi = 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45(45) 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1
InChi Key
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Awọn orukọ miiran fun nkan yii
Cytidine,Nbenzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) - 5-methyl-, 3 '- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI); 12: PN: WO03084478 OJU: 57 so DNA; 14: PN: US20030170636 OJU: 17 ti o ni ẹtọ DNA; 15: PN: U
S20030211606 OJU: 19 ti o ni ẹtọ DNA; 15: PN: US20030212017 OJU: 19 ti o ni ẹtọ DNA; 16: PN: US20040005569 OJU: 22 ti o ni ẹtọ DNA; 17: PN: US20040006030 EWE: 23 DNA ti o ni ẹtọ; 17: PN: US20040014049 OJU: 20 DNA ti o ni ẹtọ; 18: PN: US20040014047 PAG E: 20 beere DNA; 18: PN: US20040014048 OJU: 20 ti o ni ẹtọ DNA; 18: PN: US20040014050 EWE: 20 DNA ti o ni ẹtọ; 19: PN: U
S20030171313 OJU: 9 DNA ti o ni ẹtọ; 19: PN: US20030198965 OJU: 20 DNA ti o ni ẹtọ; 19: PN: US20040005565 OJU: 17- 22 DNA ti o ni ẹtọ; 19: PN: US20040005570 EWE: 20 DNA ti o ni ẹtọ; 19: PN: US20040014051 OJU: 22 DNA ti o ni ẹtọ; 20: PN: US20040014699 PAG
E: 20 DNA ni ẹtọ; 21: PN: US20040006029 OJU: 23 DNA ti o ni ẹtọ; 21: PN: WO03106645 OJU: 72 ti o ni ẹtọ DNA; 61: PN: US20030
166592 OJU: 15 pe DNA; 7: PN: WO2005006958 OJU: 62 DNA ti o ni ẹtọ; 84: PN: US20040171566 OJU: 18 ti o ni ẹtọ DNA; 92:
PN: US20040005707 OJU: 20 DNA ti o ni ẹtọ; 9: PN: WO2005007825 OJU: 62 ti o ni ẹtọ DNA;N4-Benzoyl-2′-O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′-phosphoramidite;N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine-3′- amidite
Spectra wa
13 C NMR
Hetero NMR
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 171 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1250 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 47600 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 6,44 x 105 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 7.79 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,63 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 30800 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 106 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 3.99 x 105 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8.70 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4,83 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | Ọdun 19100 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 8.401 ± 0.723 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,4 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.1 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.16 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.1 x 10-3 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.0 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,5 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,5 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,5 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,2 x 10-3 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6,3 x 10-3 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,5 x 10-4 g/L | Omi ti a ko fi silẹ pH 6.97; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,5 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-3 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 1,7 x 10-4 mol / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.4 x 10-6 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2,7 x 10-7 mol / L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-6 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.8 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | Omi ti a ko fi silẹ pH 6.97; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 922.01 | ||
| pKa | 8.59± 0.40 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3,87 ± 0,20 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 22 | (1) ACD | |
| H Awọn olugba | 15 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 16 | (1) ACD | |
| logP | 8.401 ± 0.723 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 922.01 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 176 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)
![C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C44H53FN7O8 Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methyl ethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C47H60N7O10P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2- methoxyethyl) -N- (2-methyl-1-oxopropyl) –, 3′- [2-cyanoethyl N , N-bis (1-methylethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)