C17H25N5O7 Guanosine, 2'-O- (2-methoxyethyl) -N- (2-methyl-1-oxopropyl) - (9CI, A CI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 411.41 | - |
| Oju Iyọ (Ayẹwo) | 137-139,2 °C | - |
| iwuwo (Asọtẹlẹ) | 1,60 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 8.68± 0.20 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeric SMILES O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@@H](CO)O3)NC(NC) (C(C)C)=O)=N1
InChi
InChi=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18-7-22(13)16-12(28-5-) 4-27-3)11 (24)9 (6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21) ,25,26)/t9-,11-,12-,16-/m1/s1
InChi Key
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Oruko miiran fun nkan yii
2'-O- (2-Methoxyethyl) -N- (2-methyl-1-oxopropyl) guanosine (ACI)
| Awọn ohun-ini ti o wa |
| Gbona |
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami Iyo | 137-139,2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.;Nucleosides, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus
Spectra wa
1H NMR
13C NMR
IR
| 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 | 1.0 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | -2.44 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.60 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.84 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.55 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.50 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.50 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.51 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.58 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.98 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.76 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | -0.497 ± 0.633 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 0.58 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 49 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.0 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.2 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.62 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.58 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.58 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.58 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.70 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.7 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 10 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Ibi Solubility | 0.58 g/L | Omi ti a ko fi silẹ pH 5.98;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,4 x 10-3 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.12 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.017 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.0 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 | 1,4 x 10-3 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-3 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-3 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,7 x 10-3 mol / L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-3 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.025 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-3 mol/L | Omi ti a ko fi silẹ pH 5.98;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 411.41 | ||
| pKa | 8.68± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3.05 ± 0.20 | 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 | 1,60 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 256,2 ± 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)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 9 | (1) ACD | |
| H Awọn olugba | 12 | (1) ACD | |
| H Awọn oluranlọwọ | 4 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 16 | (1) ACD | |
| logP | -0.497 ± 0.633 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 411.41 |
(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 | 157 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
13C NMR
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