C11h15n5o4 adenosine, 2 '-o-methyl- (7ci, 8ci, 9ci, aci)
Hejmara Registry
2140-79-6
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 281.27 | - |
| Melting Point (ceribandin) | 204-206 ° C | - |
| Point Point (texmîn kirin) | 623.8 ± 65.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.84 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 13.13 ± 0.70 | Temana herî acid: 25 ° C |
Hespên Canonîkî
Ok1oc (n2c = nc = 3c (= nc = nc32) n) c (oc) c1o
Isomeric bişirîn
O (c) [C @ h] (N2C = 3C (n = c2) = c (n) n = cn3) o [c @ h] (C @ h] 1o
Inchi
Inchi = 1s / c11h15n5o4 / c1-19-8-7 (18) 5 (8) 16-4-15-6-9 (6) 16 / 2009-18h, 2-12,17-18h / T5-, 7- / M1 / S1
Keyeya Inchi
FpuGCiSOlxNpPc-iOSLPcccsa-N
2 navên din ên ji bo vê madeyê
2 -O-MethyLadenosine (ACI); Cordysinin b
Taybetmendiyên berdest
Thermal
| Mal | Giranî | Çavkaniya şertê |
| Xala melting | 204-206 ° C | (1) cas |
(1) Martinez-Montero, Saul; Kovara Kîmya organîk a Ewropî, (2009) (19), 3265-3271, S3265 / 1-S3265 / 23, CA CAtlus
Spectra peyda dibe
1 H NMR
13 C NMR
IR
Gel
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 | 1.78 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.97 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.99 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.99 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.99 | PH 9; Temp: 25 ° C | (1) ACD |
| Çavkaniya rewşa nirxa xanî |
| BioconCentration Factor 1.99 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 | 4.54 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 26.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 51.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 56.4 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 57.0 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 57.1 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 57.1 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 57.0 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | -1.70 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -1.25 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.40 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 0.36 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 0.65 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 0.69 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 0.70 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 0.70 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 0.70 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 0.70 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 0.697 ± 0.596 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 3.7 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 886 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 309 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 45 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 7.9 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.9 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.7 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.7 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility girseyî | 3.7 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.7 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.7 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.7 g / l | Avê ya Unbuffered PH 8.07; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 0.013 Mol / L | Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.15 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.10 Mol / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.16 Mol / L | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.028 Mol / L | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 0.014 Mol / L | PH 5; Temp: 25 ° C | (1) ACD |
| 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 | Avê ya Unbuffered PH 8.07; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 281.27 | ||
| pka | 13.13 ± 0.70 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 3.82 ± 0.10 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 2.02 x 10-16 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 | 1.84 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 152.5 ± 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 | Çavkaniya şertê |
| Bonds rotatable ya azad | 5 | (1) ACD |
| H qebûlkar | 9 | (1) ACD |
| H Donors | 4 | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| H Donor / Qedexe | 13 | (1) ACD | |
| logp | 0.697 ± 0.596 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 281.27 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Çavkaniya şertê |
| Qada pola polar | 129 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Xala zirav | 623.8 ± 65.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 97.11 ± 3.0 kj / mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 331.0 ± 34.3 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1 H NMR
13 C NMR
| Navê dizî | Daxuyaniya Hazard | Kanî |
| H303 | Dibe ku zirarê bibîne | Pispor curated |
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