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)
Nọmba iforukọsilẹ CAS
251647-55-9
H302
Key Properties Properties | Iye | Ipo |
Òṣuwọn Molikula | 914.00 | - |
pKa (Asọtẹlẹ) | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC) =C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5) = CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi = 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-) 26-57-7)40(64-65(62-25-13-24-48)54(31(3)4)32(5)6)38(63-45)28-61-47(33-) 14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10- 12,14-23,29-32,38,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41- ,45-,65?/m1/s1
InChi Key
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Awọn orukọ miiran fun nkan yii
Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl)N(2-methyl-1-oxopropyl) -, 3 '- [2-cyanoethyl bis (1- methylethyl) phosphoramite] (9CI); 17: PN: US20030212017 EWE: 20 ti a beere ọkọọkan; 18: PN: US20030211606 EWE: 20
so ọkọọkan; 19: PN: US20040005569 EWE: 22 ti a beere ọkọọkan; 21: PN: US20040006030 EWE: 23 ti a beere ọkọọkan; 21: PN: US20040014047 EWE: 21 ti a beere ọkọọkan; 21: PN: US20040014049 EWE: 21 ti a beere ọkọọkan; 22: PN: US20030198965 PAG
E: 20 ti a beere ọkọọkan; 22: PN: US20040005570 EWE: 21 ti a beere ọkọọkan; 22: PN: US20040014048 OJU: 21 ti a beere ọkọọkan;
22: PN: US20040014050 EWE: 21 ti a beere ọkọọkan; 23: PN: US20040005565 EWE: 17- 22 ti a beere ọkọọkan; 23: PN: US20040
014051 EWE: 23 so ọkọọkan; 24: PN: US20040014699 EWE: 21 ti a beere ọkọọkan; 25: PN: US20040006029 EWE: 23 ti a beere ọkọọkan; 25: PN: WO03106645 EWE: 73 so lesese; 96: PN: US20040005707 OJU: 21 ti a beere ọkọọkan
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 | 121 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 2580 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 23500 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 71800 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 89800 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 92100 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 91300 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 82500 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 42200 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 7860 | 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 | 164 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Koc | 1,24 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logP | 6.837 ± 0.764 | Iwọn otutu: 25 °C | (1) ACD |
Ibi Isoju Agbekale | 4,4 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 0.34 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 0.016 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 1,7 x 10-3 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 5.7 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4,6 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4,4 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4,5 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4.9 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 1.0 x 10-3 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 5.2 x 10-3 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4,5 x 10-4 g/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
Solubility Inu inu Molar | 4.8 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 3.7 x 10-4 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 1,7 x 10-5 mol / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 1.9 x 10-6 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Solubility Molar | 6.2 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.0 x 10-7 mol / L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 4.8 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 4.9 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.4 x 10-7 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-6 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.7 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 4.9 x 10-7 mol/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 914.00 | ||
pKa | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD |
pKa | 3,45 ± 0,70 | 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 | 17 | (1) ACD | |
H Awọn oluranlọwọ | 2 | (1) ACD | |
H Oluranlọwọ / Olugba Apapọ | 19 | (1) ACD | |
logP | 6.837 ± 0.764 | Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 914.00 |
(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 | 203 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
Orisun Gbólóhùn Ewu koodu | |
H302 Ipalara ti o ba gbe | Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA) Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ |