![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidi] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidi] (ACI) Ata Fa'aalia](https://www.csnvchem.com/uploads/C45H56N7O9P.png)
C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidi] (ACI)
Numera Resitala CAS
150780-67-9
H303
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 869.94 | - |
| pKa (vala'aina) | 9.16±0.20 | Le Tele o le Asi Sua: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O))N=C(NC(=O)C(C)C)NC32)C1OC)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](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-)
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-1) 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1
InChI Ki
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Isi igoa mo lenei mea
Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidi] (9CI)
Spectra avanoa
13 C NMR
Hetero NMR
Meatotino avanoa
Biological
Kemisi
Lipinski
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 183 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 3890 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 35500 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.08 x 105 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.36 x 105 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.39 x 105 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.38 x 105 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.24 x 105 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 63600 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 11900 | 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 | 220 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 4680 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 42600 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 1.30 x 105 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 1.63 x 105 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 1.67 x 105 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 1.65 x 105 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 1.49 x 105 | pH 8; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 76400 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 14200 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | 4.19 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 5.52 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | 6.48 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 6.96 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 7.06 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 7.07 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 7.07 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 7.02 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 6.73 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 6.00 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 7.072±0.721 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 1.2 x 10-4 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.096 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.3 x 10-3 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.8 x 10-4 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.6 x 10-4 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.2 x 10-4 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.2 x 10-4 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.2 x 10-4 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.4 x 10-4 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 2.7 x 10-4 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.4 x 10-3 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.2 x 10-4 g/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.4 x 10-7 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.0 x 10-6 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.5 x 10-7 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 1.4 x 10-7 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.1 x 10-7 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-6 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 869.94 | ||
| pKa | 9.16±0.20 | 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 | 19 | (1) ACD | |
| H Tagata talia | 16 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 18 | (1) ACD | |
| logP | 7.072±0.721 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 869.94 |
(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 |
| Polar Surface Area | 194 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)
Spectra avanoa
1 H NMR
13 C NMR
| Code | Fa'amatalaga o Tulaga Lamatia | Punavai |
| H303 | Atonu e afaina pe a foloina | Fa'atonu Fa'apitoa |
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