![C53H66N7O8PSi NO. CAS: 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)phosphoramidi] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi NO. CAS: 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)phosphoramidi] (ACI) Ata Fa'apitoa](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi NO. CAS: 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)phosphoramidi] (ACI)
Numera Resitala CAS
104992-55-4
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 988.19 | - |
| pKa (vala'aina) | 7.87±0.43 | Le Tele o le Asi Sua: 25 °C |
ATA'ITA'I Canonical
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 Ki
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Isi igoa mo lenei mea
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidi] (9CI)
Spectra avanoa
Misasa
Meatotino avanoa
Biological
Kemisi
Lipinski
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 5.50 x 105 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 61500 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 9.24 x 105 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.81 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 10.24 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | 11.24 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 11.73 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 11.83 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 11.83 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 11.75 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 11.31 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 10.53 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 9.99 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 11.845±0.715 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 1.2 x 10-5 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.5 x 10-3 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.1 x 10-4 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 9.9 x 10-6 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 2.7 x 10-6 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 2.7 x 10-6 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-6 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 8.9 x 10-6 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 6.3 x 10-5 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.2 x 10-4 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-6 g/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.2 x 10-8 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.5 x 10-6 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-8 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.4 x 10-9 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.7 x 10-9 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.7 x 10-9 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.2 x 10-9 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 9.0 x 10-9 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.4 x 10-8 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.2 x 10-7 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.2 x 10-9 mol/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 988.19 | ||
| pKa | 7.87±0.43 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 21 | (1) ACD | |
| H Tagata talia | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 16 | (1) ACD | |
| logP | 11.845±0.715 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 988.19 |
| Meatotino | Taua | Tulaga Punavai |
| Polar Surface Area | 178 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Atina'e Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1 H NMR
13 C NMR
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![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidi] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidi] (ACI )](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine-300x300.png)