C13h19NNIn5O5 ADENOSINE, 2 '-Neach-obrach) - (9ci, ACI)
Àireamh Clàrs Cas
168427-74-5
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 325.32 | - |
| Puing goil (ro-innse) | 639.0 ± 65.0 ° C. | Brùth: 760 Torr |
| Dùmhlachd (ro-innse) | 1.70 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 13.12 ± 0.70 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
Occ1oc (N2C = NC = 3c (= c = nc = nc32) n) c (occoc) c1o
Gàire isomicic
O (CCOC) [C @ B @B] 1 [C @ [C @B) N2C = 3 C2) = N) N = CN3
Inchi
Inchi = 1s / c13h19N5O5 / C1-21-2-3-3-3-3-8-17-8-17-8-119,13-20h, 2-4h2,1h3, (H2,14,15,16) / T7-, 9-, 10-, 13- / s1
Iuchair Inchi
Pudxujrjrjrjlljiu-qyvstxnspsa-n
1 ainm eile airson an stuth seo
2 '-O- (2-neach-modh-obrach) Adoenosine (ACI)
Spectra ri fhaighinn
1 h nmr
13 c nmr
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar co-cheangailte
Thermal
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.18 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.31 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.32 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.32 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.32 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.32 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| 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 |
| Seilbh | Luach | Suidheachadh | Stòr |
| 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 |
| Misneachd solbalileachd neo-ghnèitheach mòr | 4.2 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 999 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 381 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 55 g / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 9.4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.9 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Uisge neo-ainmichte pH 8.08; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach 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 |
| Seilbh | Luach | Suidheachadh | Stòr |
| 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. | Uisge neo-ainmichte pH 8.08; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 325.32 | ||
| paka | 13.12 ± 0.70 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 3.82 ± 0.10 | Temp as bunaitiche: 25 ° C. | (1) ACD |
| Cuideam vapor | 3.35 x 10-17 Torr | Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.70 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 191.2 ± 7.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 8 | (1) ACD | |
| Hrrairean | 10 | (1) ACD | |
| Hnors her | 4 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
| logp | 0.462 ± 0.647 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 325.32 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Stòr cumhachd |
| Raon uachdar pòla | 138 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Point Point | 639.0 ± 65.0 ° C. | Brùth: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 99.17 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Puing Flash | 340.2 ± 34.3 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1h nmr
13c nmr
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