![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidi] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidi] (ACI) Ata Fa'aalia](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidi] (ACI)
Numera Resitala CAS
251647-53-7
H302
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 932.01 | - |
| pKa (vala'aina) | 7.87±0.43 | Le Tele o le Asi Sua: 25 °C |
ATAITAU Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)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](OCCOC)[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/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1
InChI Ki
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Isi Igoa mo lea mea
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
phosphoramidi] (9CI); 16: PN: US20030211606 ITULAU: 19 fai mai faasologa; 16: PN: US20030212017 ITULAU: 20 fa'asologa fa'asologa; 17: PN: US20040005569 ITULAU: 22 fai mai faasologa; 19: PN: US20040006030 ITULAU: 23 fai mai faasologa; 19: PN: US20040014047
ITULAU: 21 fai mai faasologa; 19: PN: US20040014049 ITULAU: 21 fai mai faasologa; 20: PN: US20040005570 ITULAU: 20 fai mai
fa'asologa; 20: PN: US20040014048 ITULAU: 21 fai mai faasologa; 20: PN: US20040014050 ITULAU: 20 fai mai faasologa; 21: PN: U
S20040005565 ITULAU: 17- 22 fai mai fa'asologa; 21: PN: US20040014051 ITULAU: 23 fai mai faasologa; 22: PN: US20040014699 ITULAU: 20 fai mai faasologa; 23: PN: US20040006029 ITULAU: 23 fai mai faasologa; 23: PN: WO03106645 ITULAU: 73 fai mai faasologa; 94: P N: US20040005707 ITULAU: 20 fa'asologa fa'asologa
Spectra avanoa
1 H NMR
13 C NMR
Hetero NMR
Meatotino avanoa
Fa'aolaola
Kemisi
Lipinski
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 2680 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 71500 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.39 x 105 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 40300 | 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 | 1360 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 1.42 x 106 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Maalili: 25 °C | (1) ACD |
| ogalaauD | 5.77 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 7.20 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.20 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.69 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.79 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.79 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.71 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.27 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 7.49 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 6.95 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 5.4 x 10-5 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.051 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.9 x 10-3 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.9 x 10-4 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 6.0 x 10-5 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.8 x 10-5 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.8 x 10-5 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 5.8 x 10-5 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.6 x 10-4 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 9.3 x 10-4 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 3.6 x 10-3 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 5.7 x 10-5 g/L | Suavai e le fa'asaoina pH 6.97; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 5.8 x 10-8 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.5 x 10-5 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.0 x 10-6 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 2.0 x 10-7 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.4 x 10-8 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.1 x 10-8 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 5.1 x 10-8 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.2 x 10-8 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-7 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-6 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.9 x 10-6 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.1 x 10-8 mol/L | Suavai e le fa'asaoina pH 6.97; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 932.01 | ||
| 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 | 22 | (1) ACD | |
| H Tagata talia | 16 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 17 | (1) ACD | |
| logP | 8.803±0.766 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 932.01 |
(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 | 187 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
| Fa'amatalaga Fa'amatalaga o Tulaga Lamatia | |
| H302 E afaina pe a foloina | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Inventory - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga masani, European Chemical Agency (ECHA) Fa'avasegaga & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga |
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