C11H15N5O4 Adenosine, 2' -O-methyl- (7CI, 8CI, 9CI, ACI)
Hejmara qeydê ya CAS
2140-79-6
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 281,27 | - |
| Xala Helînê (Ezmûnî) | 204-206 °C | - |
| Xala kelandinê (pêşbînîkirî) | 623,8±65,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,84±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 13,13±0,70 | Germahiya herî asîdî: 25 °C |
SMILES Canonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
SMILES Îzomerî
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6) 16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
InChI Key
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Navên din ên vê madeyê
2' -O-Methyladenosine (ACI); Cordysinin B
Taybetmendiyên berdest
Termal
| Mal | Giranî | Çavkaniya Rewşa |
| Melting Point | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saul; Kovara Ewropî ya Kîmyaya Organîk, (2009) (19), 3265-3271, S3265/1-S3265/23, CAplus
Spectra heye
1 H NMR
13 C NMR
IR
Gel
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Density
Lipinski
Structure Related
Termal
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1.0 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.0 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.78 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.97 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.99 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.99 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1.99 | pH 9; Germ: 25 °C | (1) ACD |
| Çavkaniya Rewşa Nirxa Taybetmendiyê |
| Faktora Bioconcentration 1.99 pH 10; Germ: 25 °C (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Koc | 1.0 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 4.54 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10; Germ: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Germ: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Germ: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 0.36 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 0.69 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 0.70 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 0.70 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 0.70 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 0.70 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 0,697±0,596 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 3,7 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 886 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 309 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 45 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,9 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,9 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya girseyî | 3,7 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 g/L | pH ava nebuffered 8,07; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 0,013 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,15 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,10 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,16 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,028 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,014 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,013 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,013 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,013 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,013 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,013 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 0,013 mol/L | pH ava nebuffered 8,07; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 281,27 | ||
| pKa | 13,13±0,70 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,82±0,10 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 2,02 x 10-16 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Density | 1,84±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 152,5±7,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya Rewşa |
| Bonds Bi Azadî Rotable | 5 | (1) ACD |
| H Qebûrker | 9 | (1) ACD |
| H Donors | 4 | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| H Donor / Qebûl Sum | 13 | (1) ACD | |
| logP | 0,697±0,596 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 281,27 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya Rewşa |
| Qada Rûyê Polar | 129 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 623,8±65,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 97,11±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 331,0±34,3 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1 H NMR
13 C NMR
| Navê dizî | Daxuyaniya xeterê | Kanî |
| H303 | Heke were daqurtandin dibe ku zirardar be | Expert Curated |
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