C20H23N5O6 Adenosine, N-benzoyl-2′-O-(2-methoxyethyl)- (9CI, ACI)
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 429.43 | - |
| To'atele (Va'ai) | 1.53±0.1g/cm3 | Maalili: 20 °C;Lomitusi: 760 Torr |
| pKa (vala'aina) | 13.15±0.70 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I Canonical O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)C=4C=CC=CC4
ATA Isomeric O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(NC(=O) )C4=CC=CC=C4)N=CN3
InChI
InChI=1S/C20H23N5O6/c1-29-7-8-30-16-15(27)13(9-26)31-20(16)25-11-23-14-17(21-10-22- 18(14)25)24-19(28)12-5-3-2-4-6-12/h2-6,1 0-11,13,15-16,20,26-27H,7-9H2 ,1H3,(H,21,22,24,28)/t13-,15-,16-,20-/m1/s1
InChI Ki
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Isi Igoa mo lea Mea
N-Benzoyl-2′-O-(2-methoxyethyl)adenosine (ACI);N6-Benzoyl-2′-O-(2-methoxyethyl)adenosine
Spectra avanoa
1H NMR
13C NMR
| Meatotino avanoa |
| Biological |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
Biological
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 3.71 | pH 1;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 14.6 | pH 2;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 20.9 | pH 3;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 21.8 | pH 4;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 21.9 | pH 5;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 21.8 | pH 6;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 21.4 | pH 7;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 17.6 | pH 8;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 6.52 | pH 9;Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.08 | 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)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 53.2 | pH 1;Maalili: 25 °C | (1) ACD |
| Koc | 210 | pH 2;Maalili: 25 °C | (1) ACD |
| Koc | 299 | pH 3;Maalili: 25 °C | (1) ACD |
| Koc | 312 | pH 4;Maalili: 25 °C | (1) ACD |
| Koc | 314 | pH 5;Maalili: 25 °C | (1) ACD |
| Koc | 313 | pH 6;Maalili: 25 °C | (1) ACD |
| Koc | 306 | pH 7;Maalili: 25 °C | (1) ACD |
| Koc | 253 | pH 8;Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 93.5 | pH 9;Maalili: 25 °C | (1) ACD |
| Koc | 15.5 | pH 10;Maalili: 25 °C | (1) ACD |
| ogalaauD | 1.30 | pH 1;Maalili: 25 °C | (1) ACD |
| ogalaauD | 1.90 | pH 2;Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.05 | pH 3;Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.07 | pH 4;Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.07 | pH 5;Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.07 | pH 6;Maalili: 25 °C | (1) ACD |
| ogalaauD | 2.06 | pH 7;Maalili: 25 °C | (1) ACD |
| ogalaauD | 1.98 | pH 8;Maalili: 25 °C | (1) ACD |
| ogalaauD | 1.54 | pH 9;Maalili: 25 °C | (1) ACD |
| ogalaauD | 0.76 | pH 10;Maalili: 25 °C | (1) ACD |
| logP | 2.085±0.689 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 0.030 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.17 g/L | pH 1;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.0429 g/L | pH 2;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.030 g/L | pH 3;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH 4;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH 5;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH 6;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.029 g/L | pH 7;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.036 g/L | pH 8;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.094 g/L | pH 9;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.60 g/L | pH 10;Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.029 g/L | Suavai e le fa'afefe pH 6.38;Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 7.0 x 10-5 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.9 x 10-4 mol/L | pH 1;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.00 x 10-4 mol/L | pH 2;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.0 x 10-5 mol/L | pH 3;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol/L | pH 4;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol/L | pH 5;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol/L | pH 6;Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 6.8 x 10-5 mol/L | pH 7;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 8.3 x 10-5 mol/L | pH 8;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.2 x 10-4 mol/L | pH 9;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 mol/L | pH 10;Maalili: 25 °C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol/L | Suavai e le fa'afefe pH 6.38;Maalili: 25 °C | (1) ACD |
| Molecular Weight | 429.43 | ||
| pKa | 13.15±0.70 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
| pKa | 8.80±0.10 | 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)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.53±0.1g/cm3 | Maalili: 20 °C;Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 280.3±7.0 cm3/mol | Maalili: 20 °C;Lomitusi: 760 Torr | (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)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 9 | (1) ACD | |
| H Tagata talia | 11 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 14 | (1) ACD | |
| logP | 2.085±0.689 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 429.43 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 141 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
1H NMR
13C NMR
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![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)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
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![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)