C15H21N5O6 Guanosine, 2'-O-methyl-N- (2-methyl-1-oxopropyl) - (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 367.36 | - |
| iwuwo (Asọtẹlẹ) | 1,68 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomeric SMILES O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C @ H] (CO) [C @ H] 1O
InChi
InChi=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3) 9 (22)7 (4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7- ,9-,10-,14-/m1/s1
InChi Key
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Awọn orukọ miiran fun nkan yii
2′-O-Methyl-N(2-methyl-1-oxopropyl) guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosin
Spectra wa
1H NMR
13C NMR
Ibi
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| 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 | 1.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | 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)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 2.12 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 12.5 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | -0.464 ± 0.636 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 0.55 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.84 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.59 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.55 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.55 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.55 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.55 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.59 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.96 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.55 g/L | Omi ti a ko fi silẹ pH 6.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,5 x 10-3 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 9.6 x 10-3 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-3 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-3 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-3 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-3 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 1,5 x 10-3 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-3 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-3 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-3 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.012 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-3 mol/L | Omi ti a ko fi silẹ pH 6.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 367.36 | ||
| pKa | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 1.73 ± 0.10 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,68 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 217,6 ± 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)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 6 | (1) ACD | |
| H Awọn olugba | 11 | (1) ACD | |
| H Awọn oluranlọwọ | 4 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 15 | (1) ACD | |
| logP | -0.464 ± 0.636 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 367.36 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 147 A2 | (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
Spectra wa
13C NMR
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