C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-methoxyethyl) - (9CI, ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 429.43 | - |
| Njupụta (buru amụma) | 1.53±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr |
| pKa (buru amụma) | 13.15± 0.70 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)C=4C=CC=CC4
Isomeric SMILES 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 Igodo
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Aha ndị ọzọ maka ihe a
N-Benzoyl-2′-O- (2-methoxyethyl) adenosine (ACI);N6-Benzoyl-2′-O-(2-methoxyethyl)adenosine
Spectra dị
1H NMR
13C NMR
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 3.71 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 14.6 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 20.9 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 21.8 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 21.9 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 21.8 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 21.4 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 17.6 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 6.52 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.08 | 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)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 53.2 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 210 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 299 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 312 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 314 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 313 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 306 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 253 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 93.5 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 15.5 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 1.30 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 1.90 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.05 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.07 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.07 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.07 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.06 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 1.98 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 1.54 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.76 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 2.085± 0.689 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 0.030 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.17 g/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.0429 g/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.030 g/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.029 g/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.029 g/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.029 g/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.029 g/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.036 g/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.094 g/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.60 g/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.029 g/L | Mmiri na-enweghị atụ pH 6.38;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 7.0 x 10-5 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.9 x 10-4 mol/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.00 x 10-4 mol / l | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.0 x 10-5 mol / l | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.7 x 10-5 mol / l | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.7 x 10-5 mol / l | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.7 x 10-5 mol / l | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 6.8 x 10-5 mol / l | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 8.3 x 10-5 mol / l | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.2 x 10-4 mol / l | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-3 mol / l | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.7 x 10-5 mol / l | Mmiri na-enweghị atụ pH 6.38;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 429.43 | ||
| pKa | 13.15± 0.70 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 8.80± 0.10 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.53±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
| Olu Molar | 280.3 ± 7.0 cm3 / mol | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 9 | (1) ACD | |
| H Ndị nnabata | 11 | (1) ACD | |
| H Ndị na-enye onyinye | 3 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 2.085± 0.689 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 429.43 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 141 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
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