C13H19N5O5 Adenosine, 2′ -O- (2-methoxyethyl) - (9CI, ACI)
Nọmba ndekọ CAS
168427-74-5
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 325.32 | - |
| Ebe a na-esi esi esi (buru amụma) | 639.0±65.0C | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.70±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 13.12± 0.70 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
Isomeric SMILES
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChi
InChi= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12 (8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
Igodo InChi
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Aha ọzọ maka ihe a
2 '-O(2-Methoxyethyl) adenosine (ACI)
Spectra dị
1H NMR
13C NMR
Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.18 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.31 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.32 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.32 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.32 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.32 | 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)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3.39 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 19.4 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 38.0 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 42.0 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 42.5 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 42.5 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 42.5 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 42.5 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -1.94 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -1.48 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.64 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.12 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.41 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.46 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.46 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.46 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.46 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.46 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 0.462± 0.647 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 4.2 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 999 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 381 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 55 g/l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.2 g/L | Mmiri na-enweghị atụ pH 8.08; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 0.013 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.07 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.17 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.17 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.029 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.015 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 0.013 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.013 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.013 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.013 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.013 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.013 mol / l | Mmiri na-enweghị atụ pH 8.08; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 325.32 | ||
| pKa | 13.12± 0.70 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.82± 0.10 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 3.35 x 10-17 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.70±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 191.2± 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)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 8 | (1) ACD | |
| H Ndị nnabata | 10 | (1) ACD | |
| H Ndị na-enye onyinye | 4 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 0.462± 0.647 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 325.32 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 138 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 639.0±65.0C | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 99.17± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 340.2± 34.3 Celsius C | (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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