C13H19N5O5 adenosine, 2 '-o- (2-methoxethyl) - (9ci, ACI)
Hejmara Registry
168427-74-5
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 325.32 | - |
| Point Point (texmîn kirin) | 639.0 ± 65.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 13.12 ± 0.70 | Temana herî acid: 25 ° C |
Hespên Canonîkî
Ok1oc (n2c = nc = 3c (= nc = nc32) n) c (okc) c1o
Isomeric bişirîn
O (CCOC) [C @ H] 1 [C @ h] (O [C] (CO) [C @ h] 1o) N2C = 3C (n = c2) = c (n) n = cn3
Inchi
Inchi = 1s / c13h19n5o5 / c1-21-9 (20) 7 (10) 18-6-1-13-8-11 (14) 15-5-16-12-10,13,19-20h, 2-4h2,1h3, (H2,14,15,16) / T7-, 9-, 10-, 13- / M1 / S1
Keyeya Inchi
PUDxuJrJLrLjjiU-QYvStxNMsA-N
1 navê din ji bo vê madeyê
2 -O- (2-metoxyethyl) Adenosine (ACI)
Spectra peyda dibe
1 H NMR
13 C NMR
Taybetmendiyên berdest
Bedirî
Şîmyakî
Dendetî
Lipinski
Struktura têkildar
Thermal
| 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 | 1.18 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.31 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.32 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.32 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.32 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.32 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Koc | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 3.39 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 19.4 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 38.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 42.0 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 42.5 | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 42.5 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 42.5 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 42.5 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | -1.94 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -1.48 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.64 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 0.12 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 0.41 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 0.46 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 0.46 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 0.46 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 0.46 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 0.46 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 0.462 ± 0.647 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 4.2 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 999 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 381 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 55 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.9 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | Ava bêbersiv 8.08; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 0.013 Mol / L | Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.07 Mol / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.17 Mol / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.17 Mol / L | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.029 Mol / L | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.015 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 0.013 Mol / L | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.013 Mol / L | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.013 Mol / L | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.013 Mol / L | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.013 Mol / L | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.013 Mol / L | Ava bêbersiv 8.08; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 325.32 | ||
| pka | 13.12 ± 0.70 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 3.82 ± 0.10 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 3.35 x 10-17 torr | Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 191.2 ± 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)
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 8 | (1) ACD | |
| H qebûlkar | 10 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 0.462 ± 0.647 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 325.32 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Çavkaniya şertê |
| Qada pola polar | 138 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Xala zirav | 639.0 ± 65.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 99.17 ± 3.0 Kj / Mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 340.2 ± 34.3 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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