C33H35N3O8 Cytidine, N-Acetyl-5'-O- [BIS (4-Neach-dèanaidh (4-mocyphyl) -2'-O- methyl- (9ci, ACI)
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 601.65 | - |
| Dùmhlachd (ro-innse) | 1.28 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 10.19 ± 0.20 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c1n = c = cn1c2oc (CC = CC = CC = C (OC = C (Oc) C = cc = c (O) c = c3) c = cc) c2oc) NC (= o) c
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Inchi
Inchi = 1s / c37H35N3O8 / C1-21 (37-2-5-5-5-5-5-5-5-5-3-5-10-14-25 (40-25 (40-25 (40-25 (40-25 (40-25 (40-2) 15-11-23) 24-12-16-26 (41-3) 17-13-24 / H5-117,37,39,37-, 30- / S1
Iuchair Inchi
FinuhojunghalQ-PMFCEWTESSA-n
1 ainm eile airson an stuth seo
N-acetyl-5'-o- [bis (4-modh-breith impenthyl] -2'-o-methylcytidine (ACI)
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 8.87 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 27.8 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 171 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 515 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 650 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 668 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 668 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 657 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 560 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 229 | 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 | 48.6 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 152 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 935 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 2820 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 3560 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 3660 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 3660 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 3600 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 3070 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1250 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 2.14 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.64 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logd | 3.43 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.91 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.94 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.55 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 1.3 X 10-3 G / L. | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.10 g / l | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.032 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.2 x 10-3 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.7 x 10-3 G / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.4 x 10-3 G / l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 X 10-3 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 X 10-3 G / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 X 10-3 G / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.6 x 10-3 G / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.9 x 10-3 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 X 10-3 G / L. | Uisge Unbuffered PH 6.99; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 2.2 x 10-6 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 5.3 x 10-5 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 8.6 x 10-6 mol / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.9 x 10-6 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 X 10-6 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.2 x 10-6 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.2 x 10-6 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.2 x 10-6 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.6 x 10-6 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.4 x 10-6 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 2.2 x 10-6 Mol / L. | Uisge Unbuffered PH 6.99; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 601.65 | ||
| paka | 10.19 ± 0.20 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 3.57 ± 0.20 | 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 | 1.28 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 466.5 ± 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 | 11 | (1) ACD | |
| Hrrairean | 11 | (1) ACD | |
| Hnors her | 2 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 601.65 |
(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 | 128 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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