C13H19N5O5 Adenosine, 2′-O-(2-methoxyethyl)- (9CI, ACI)
Nọmba iforukọsilẹ CAS
168427-74-5
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 325.32 | - |
| Oju Ise (Asọtẹlẹ) | 639,0 ± 65,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,70 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 13.12 ± 0,70 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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
InChi Key
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Oruko miiran fun Ohun elo yii
2′-O-(2-Methoxyethyl) adenosine (ACI)
Spectra wa
1 H NMR
13 C NMR
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.18 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.31 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.32 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.32 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.32 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.32 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 42.5 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.12 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 0,462 ± 0.647 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 4.2 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 999 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 381 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 55 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.9 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | Omi ti ko ni ipamọ pH 8.08; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 0.013 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.07 milimita / L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.17 milimita / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.17 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.029 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.015 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 0.013 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | Omi ti ko ni ipamọ pH 8.08; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 325.32 | ||
| pKa | 13.12 ± 0,70 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3.82± 0.10 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 3,35 x 10-17 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,70 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 191,2 ± 7,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 8 | (1) ACD | |
| H Awọn olugba | 10 | (1) ACD | |
| H Awọn oluranlọwọ | 4 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 0,462 ± 0.647 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 325.32 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 138 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 639,0 ± 65,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 99,17 ± 3,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 340,2 ± 34,3 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
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