C20H23N5O6 Adenaodsine, N-Ben Benzoic-2'-O- (2-Neach-obrach) - (9ci, ACI)
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 429.43 | - |
| Dùmhlachd (ro-innse) | 1.53 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 13.15 ± 0.70 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c (nc1 = nc = nc2 = cn2c3oc (CO) C (O) c = 4c = cc = cc = cc = cc4
Tha Isomeric a 'gàireachdainn o (ccoc) [c @ 17 [c @ [cc = cc = cc = cc = cc = cc3
Inchi
Inchi = 1s / c20h23n5o6 / C1-29-7-8-8-30-30-30 (2-22-2-3-2-2-2-2-4-6-12-6,1 0-11,13,15-16-27h, 7-9H2,22,22,22,28,28,28,28,28,28,2-, 16- / S1
Iuchair Inchi
RufJMCSVNNGZFB-KHTYJDQUTQSFSA-N
2 ainm eile airson an stuth seo
N-beinnzoyl-2'-o- (2-neach-breith-modh-chèile) Adoenosine (ACI); N6-benzoyl-2'-o- (2-neach-modh-obrach) Adonosine
Spectra ri fhaighinn
1h nmr
13c nmr
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 3.71 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 14.6 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 20.9 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 21.8 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 21.9 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 21.8 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 21.4 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 17.6 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 6.52 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.08 | 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)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 53.2 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 210 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 299 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 312 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 314 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 313 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 306 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 253 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 93.5 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 15.5 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 1.30 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | 1.90 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 2.05 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 2.07 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 2.07 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 2.07 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 2.06 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 1.98 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 1.54 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 0.76 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 2.085 ± 0.689 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 0.030 g / l | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.17 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.0429 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.030 g / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.029 g / l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.029 g / l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.029 g / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.029 g / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.036 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.094 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.60 g / l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.029 g / l | Uisge Unbuffered PH 6.38; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 7.0 x 10-5 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 3.9 x 10-4 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.00 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 7.0 x 10-5 mol / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.7 x 10-5 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.7 x 10-5 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.7 x 10-5 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 6.8 x 10-5 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 8.3 x 10-5 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.2 x 10-4 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.4 x 10-3 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.7 x 10-5 Mol / L. | Uisge Unbuffered PH 6.38; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 429.43 | ||
| paka | 13.15 ± 0.70 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 8.80 ± 0.10 | Temp as bunaitiche: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Dùmhlachd
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.53 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 2800.3 ± 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)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 9 | (1) ACD | |
| Hrrairean | 11 | (1) ACD | |
| Hnors her | 3 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
| logp | 2.085 ± 0.689 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 429.43 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon uachdar pòla | 141 A2 | (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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