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C42H52N5N5O9P Cytidine, N-acetyl-5 '-o- "Bis (2-methylyl) Phasphylyl) Fiodhoundidite] (ACI)
Àireamh Clàrs Cas
199593-09-4
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 801.87 | - |
| paka (ro-innse) | 10.18 ± 0.20 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
N # CCCoP (OC1C (OC1C (OC (N2C = CC (O) C = CC = C (CC = C (C (C (C (C) C.
Gàire isomicic
C (OC [C @@] 1 [C @/ (C (CC = C (OC = C (OC) C = c3) (cc = C (OC) c = c4) c5 = cc = cc = cc = cc = c5
Inchi
Inchi = 1s / c42h52N5No9P / C1-28 (2-2-2-3-37 (54-3 (54-3 (54-3 (46) 45-53 -42 (31-13-9-3-31,32-19-34 (50-6-32) 33-17-33,28-43,3-0H, 12,2-27h2,1-8H3, ( H, 44,45,48,48,49) / T36-, 38-, 39-, 40-, 57? / S1
Iuchair Inchi
WNWUMIPFLOKTEZ-UAQPellSA-N.
1 ainm eile airson an stuth seo
Cytidine,N-Acetyl-5 '-O- [BIS (4-Neach-obrach) dha na Leumnylmeyl] -2 '-O-mothyl-, 3 '- [2-Cyanosethyl bis (1-methyleyl) fosphoondidite] (9ci)
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 4.77 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 50.1 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2190 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 21700 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 35700 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 37800 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 37900 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 37300 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 31400 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 12300 | 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)
| Stòr suidheachadh luach seilbh |
| KOC 8.29 Ph 1; Temp: 25 ° C (1) ACD |
| Koc 87.1 Ph 2; Temp: 25 ° C (1) ACD |
| Koc 3800 PH 3; Temp: 25 ° C (1) ACD |
| Koc 37700 P Ph 4; Temp: 25 ° C (1) ACD |
| Koc 62000 Ph Ph 5; Temp: 25 ° C (1) ACD |
| Koc 65700 PH 6; Temp: 25 ° C (1) ACD |
| Koc 65900 PH 7; Temp: 25 ° C (1) ACD |
| Koc 64700 PhB 8; Temp: 25 ° C (1) ACD |
| Koc 54500 PH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 PH 10; Temp: 25 ° C (1) ACD |
| Log 2.43 Ph 1; Temp: 25 ° C (1) ACD |
| Log <45 PH 2; Temp: 25 ° C (1) ACD |
| log 5.09 Ph 3; Temp: 25 ° C (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logd | 6.09 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.30 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.32 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.25 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.329 ± 0.771 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 1.8 x 10-4 g / l | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.4 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.14 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.1 X 10-3 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.2 x 10-4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.9 x 10-4 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.8 x 10-4 g / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.8 x 10-4 g / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.8 x 10-4 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.2 x 10-4 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.6 x 10-4 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.8 x 10-4 g / l | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 2.3 X 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.8 x 10-3 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 3.9 x 10-6 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.0 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.4 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 X 10-7 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 X 10-7 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 X 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.8 x 10-7 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 7.0 x 10-7 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 X 10-7 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Cuideam molecular | 801.87 | ||
| paka | 10.18 ± 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)
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 18 | (1) ACD | |
| Hrrairean | 14 | (1) ACD | |
| Hnors her | 1 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 15 | (1) ACD | |
| logp | 6.329 ± 0.771 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 801.87 |
(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 | 167 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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