![C53H66N7O8PSi CAS NỌ.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′′ - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NỌ.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′′ - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramite] (ACI) Ifihan Aworan](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NỌ.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′′ - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramite] (ACI)
Nọmba iforukọsilẹ CAS
104992-55-4
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 988.19 | - |
| pKa (Asọtẹlẹ) | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)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](O[Si](C) (C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChi
InChi= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-) 17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59 -35-57-45-48(55-34-56-49 (45)59)58-50(61)38-19-14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47- ,51-,69?/m1/s1
InChi Key
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Oruko miiran fun Ohun elo yii
Adenosine,Nbenzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′- [2-cyanoethyl bis (1- methylethyl) phosphoramite] (9CI)
Spectra wa
Ibi
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 5.50 x 105 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | 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 | 1,00 x 106 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | 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 | 61500 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,64 x 106 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,00 x 107 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 9.24 x 105 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.81 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 11.73 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 11.83 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 11.83 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 11.75 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.99 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 11.845 ± 0.715 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,2 x 10-5 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-3 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-4 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.9 x 10-6 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3,4 x 10-6 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,7 x 10-6 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,7 x 10-6 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.2 x 10-6 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8.9 x 10-6 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6,3 x 10-5 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.2 x 10-6 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1.2 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-6 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-8 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.4 x 10-9 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-9 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-9 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-9 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-9 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 988.19 | ||
| pKa | 7,87 ± 0,43 | 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 | 21 | (1) ACD | |
| H Awọn olugba | 15 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 16 | (1) ACD | |
| logP | 11.845 ± 0.715 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 988.19 |
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 178 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
To ti ni ilọsiwaju Kemistri Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
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