![C50H60N5O10P Cytidine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O- (2-methoxyethyl)- 5-methyl-, 3' – [2-cyanoethyl N,N-bis (1-methylethyl) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O- (2-methoxyethyl)- 5-methyl-, 3' – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI) Wêne Taybetmendî](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O- (2-methoxyethyl)- 5-methyl-, 3' – [2-cyanoethyl N,N-bis (1-methylethyl) fosforamidit] (ACI)
Hejmara qeydê ya CAS
163759-94-2
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 922.01 | - |
| pKa (Pêşbînî kirin) | 8,59±0,40 | Germahiya herî asîdî: 25 °C |
SMILES Canonical
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
SMILES Îzomerî
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( 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 Navên din ên vê madeyê
Cytidine,N-benzoyl-5′-O- [bis(4-metoksîfenîl)fenîlmethyl]-2'-O-(2-metoksîetîl)- 5-metîl-, 3'- [2-sîanoetîl bis(1-metîletil) fosforamidît] (9CI); 12: PN: WO03084478 RÛpel: 57 îdia kirin DNA; 14: PN: US20030170636 PAGE: 17 DNA-ya îdîakirî; 15: PN: U
S20030211606 PAGE: 19 DNA-ya îdia kir; 15: PN: US20030212017 PAGE: 19 DNA-ya îdîakirî; 16: PN: US20040005569 PAGE: 22 DNA-ya îdîakirî; 17: PN: US20040006030 PAGE: 23 DNA-ya îdîakirî; 17: PN: US20040014049 PAGE: 20 DNA-ya îdîakirî; 18: PN: US20040014047 PAG E: 20 îdia kirin DNA; 18: PN: US20040014048 RÛpel: 20 DNA-ya îdîakirî; 18: PN: US20040014050 PAGE: 20 DNA-ya îdîakirî; 19: PN: U
S20030171313 PAGE: 9 îdia kirin DNA; 19: PN: US20030198965 PAGE: 20 DNA-ya îdîakirî; 19: PN: US20040005565 PAGE: 17- 22 DNA-ya îdîakirî; 19: PN: US20040005570 PAGE: 20 DNA-ya îdîakirî; 19: PN: US20040014051 PAGE: 22 DNA-ya îdîakirî; 20: PN: US20040014699 PAG
E: 20 DNA îdîa kir; 21: PN: US20040006029 PAGE: 23 DNA-ya îdîakirî; 21: PN: WO03106645 PAGE: 72 DNA-ya îdîakirî; 61: PN: US20030
166592 RÛpel: 15 DNA-ya îdîakirî; 7: PN: WO2005006958 PAGE: 62 DNA-ya îdîakirî; 84: PN: US20040171566 RÛpel: 18 DNA-ya îdîakirî; 92:
PN: US20040005707 PAGE: 20 DNA-ya îdîakirî; 9: PN: WO2005007825 PAGE: 62 DNA-ya îdîakirî;N4-Benzoyl-2′-O-metoksîetîl-5-O- dimethoxytrityl-5-methylcytidine-3'-phosphoramidite;N4-Benzoyl-2′-O-metoksîetîl-5'-O-dimethoxytrityl-5-methylcytidine-3' - amidite
Spectra heye
13 C NMR
Hetero NMR
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Lipinski
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 171 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1250 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 47600 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 6,44 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 7,79 x 105 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,63 x 105 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 30800 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Koc | 106 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 3,99 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 8,02 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 8,70 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 8,16 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 4,83 x 105 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 1,01 x 105 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 8,401±0,723 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,4 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,16 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,1 x 10-3 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,0 x 10-4 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,5 x 10-4 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,4 x 10-4 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,5 x 10-4 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,5 x 10-4 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,2 x 10-3 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 6,3 x 10-3 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,5 x 10-4 g/L | pH ava nebuffered 6,97; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,5 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,2 x 10-3 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 1,7 x 10-4 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,4 x 10-6 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,2 x 10-7 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-7 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,5 x 10-7 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-7 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,7 x 10-7 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,3 x 10-6 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,8 x 10-6 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-7 mol/L | pH ava nebuffered 6,97; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 922.01 | ||
| pKa | 8,59±0,40 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 22 | (1) ACD | |
| H Qebûrker | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 16 | (1) ACD | |
| logP | 8,401±0,723 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 922.01 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya Rewşa |
| Qada Rûyê Polar | 176 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1 H NMR
13 C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5'-O- [bis(4-metoksîfenîl)fenîlmethyl]-2' – O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)
![C41H49FN5O8P Cytidine, N-acetîl-5' -O- [bis(4-metoksîfenîl)fenîlmetîl]-2' – deoksî-2' -fluoro-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl) fosfor amîdît] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C40H49N4O9P Ûrîdîn, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-metîl-, 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-metoksîfenîl)fenîlmethyl]-2' -deoksî-2' – fluoro-N-(2-methyl-1-oxopropil)-, 3' – [2-cyanoethyl N, N-bis (1-methyl ethyl) fosforamidit] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C47H60N7O10P Guanosine, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-(2- metoksîetîl)-N-(2-methyl-1-oksopropil)-, 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-metoksîfenîl)fenîlmetîl]-2' – deoksî-2' -fluoro-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl) fosfor amîdît] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)