C15h21n5o6 guanosine, 2'-o-methyl-n- (2-methyl-1-oxopropyl) - (9ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 367.36 | - |
| Dendik (texmîn kirin) | 1.68 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 9.16 ± 0.20 | Temana herî acid: 25 ° C |
Smiles Canonical O = C1N = C (NC (= o) C (c) c) nc2 = c1n = cn2c3oc (co) c (o) c (o) c (o) c3oc
Isomeric smiles o (c) [c @ h] (n2c3 = c (= o) n = c (nc (c) c) = [c @ h] (c @ h] 1o
Inchi
Inchi = 1s / c15h21n5o6 / c1-6 (2) 12 (24) 19-15-15) 16-5-20 (11) 14-10 (25-3) 9 (22) 7 (4-2) 26-14 / H5-7,9-10,14,21- 22h, 4h2,1-3h3, (H2,17,18,19,23,24) / T7-, 9-, 10-, 14- / M1 / S1
Keyeya Inchi
RpUlcyxeyodqog-akaujSegsa-N
2 navên din ên ji bo vê madeyê
2-O-Tethyl-N- (2-methyl-1-oxopropyl) Guanosine (ACI);N2-isobutyryl-2'-O-methylguanosine
Spectra peyda dibe
1h nmr
13C nmr
Gel
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 2.12 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 8.67 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 12.6 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 13.2 | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 12.5 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.85 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.76 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | -1.26 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -0.65 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.69 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.34 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 0.55 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.84 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.59 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.55 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.55 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.55 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.55 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.59 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.96 G / L | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.55 g / l | Avêtina unbuffered PH 6.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.5 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 9.6 x 10-3 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.3 x 10-3 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-3 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-3 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-3 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 1.5 x 10-3 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-3 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-3 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.6 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.012 Mol / L | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-3 mol / l | Avêtina unbuffered PH 6.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 367.36 | ||
| pka | 9.16 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 1.73 ± 0.10 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.68 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 217.6 ± 7.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 6 | (1) ACD | |
| H qebûlkar | 11 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / Qedexe | 15 | (1) ACD | |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 367.36 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 147 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
Spectra peyda dibe
13C nmr
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