![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′- [2-cyanothylphoid. (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′- [2-cyanothylphoid. Foto egosipụtara (ACI).](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′- [2-cyanothylphoid. (ACI)
Nọmba ndekọ CAS
104992-55-4
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 988.19 | - |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)(C)(C)C 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 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(39-21-16-13-17-22-39,27-24-24-8) 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
Igodo InChi
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Aha ọzọ maka ihe a
Adenosine,Nbenzoyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O- [(1,1-dimethylethyl) dimethylsilyl] -, 3′ - [2-cyanoethyl bis (1- methylethyl) phosphoramite] (9CI)
Spectra dị
Mass
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 5.50 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 61500 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 9,24 x 105 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.81 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.24 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 11.24 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 11.73 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 11.83 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 11.83 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 11.75 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 11.31 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 10.53 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.99 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 11.845± 0.715 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.2 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.5 x 10-3 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.9 x 10-6 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.4 x 10-6 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.7 x 10-6 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.7 x 10-6 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.2 x 10-6 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 8.9 x 10-6 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 6.3 x 10-5 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.2 x 10-6 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.2 x 10-8 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.5 x 10-6 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.0 x 10-8 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.4 x 10-9 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.7 x 10-9 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.7 x 10-9 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.2 x 10-9 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.2 x 10-7 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.2 x 10-9 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 988.19 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.45± 0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 21 | (1) ACD | |
| H Ndị nnabata | 15 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 16 | (1) ACD | |
| logP | 11.845± 0.715 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 988.19 |
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 178 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
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![C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)