C50h60n5O10P Cytidine, n-beinnzol-5 '-o- [2-methythyl) - 5-methyphnyl) Phasphyle) (1-methyleyl)
Àireamh Clàrs Cas
163759-94-2-2-2
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 922.01 | - |
paka (ro-innse) | 8.59 ± 00 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
N # CCCoP (OC1C (OC (N2C = C (= NC = CC = CC = CC = CC = C (CC = C (C (C (C) c
Gàire isomicic
C (OC [C @@] 1 [C @ȱ (CC = cc = cc = cc = cc = cc = cc = cc = cc = cc) = cc = C (OC) C = c4) (C4 = cc = c (OC) C = c5) C7 = cc = cc = cc = cc = cc = cc = cc = c
Inchi
Inchi = 1s / c50h60n5O10P / C1-34 (2) 55 (33-6-52-4-4-4-4-4-41 (59-7) 25-21-39 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (54-32-72-72-72-6-11-37 / H9-11-27,32,34- 35,43-45,48H, 15,29-3H2,5-8,56,56,52-, 48-, 66 / M1 / S1
Iuchair Inchi
FligvmliDniDniDn-gicdfoiusA-n
26 ainm eile airson an stuth seo
Cytidine,N-benzoyl-5 '-O- [BIS (4-Neach-obrach) dha na Leumnylmeyl] -2 '-O- (2-Neach -itheamh) - 5-methyl-, 3 '- [2-Cyanosethyl Bis (1-Cyanothyl) (9cYYYL) (9c); 12: PN: W03084478 Duilleag: 57 Chaidh an tagradh DNA; 14: PN: US20030170636 Duilleag: 17 A 'tagradh DNA; 15: PN: U.
S20030211606 Duilleag: 19 Air an tagradh DNA; 15: PN: US20030212017 Page: 19 Chaidh DNA a chuir a-steach; 16: PN: US200400400400400400400400469 Duilleag: 22 Air a thrasadh DNA; 17: PN: US20040040040040006030 Duilleag: 23 A 'tagradh DNA; 17: PN: US2004004004049 Duilleag: 20 Air a ghairm DNA; 18: PN: US20040040014047 Pag E: 20 Air iarraidh DNA; 18: PN: US20040040014048 Duilleag: 20 Air a ghairm DNA; 18: PN: US2004004004050 Duilleag: 20 Air iarraidh DNA; 19: PN: U.
S20030171313 Duilleag: 9 A 'tagradh DNA; 19: PN: US20030198965 Duilleag: 20 A 'tagradh DNA; 19: PN: US200400400400400400400400400400455 Duilleag: 17- Thuirt DNA; 19: PN: US20040040040040040005570 Duilleag: 20 Air a chuir a-steach DNA; 19: PN: US2004004004051 Duilleag: 22 A 'tagradh DNA; 20: PN: US2004004004699 PAG
E: 20 Air a ghairm DNA; 21: PN: US20040040040040006029 Duilleag: 23 A 'tagradh DNA; 21: PN: WO031010664545: 72 Chaidh DNA a chuir a-steach; 61: PN: US20030
166592 Duilleag: 15 A 'tagradh DNA; 7: PN: WOMANTO2005006958 Duilleag: 62 Chaidh 62 a thagradh DNA; 84: PN: US200401715666666 Duilleag: 18 A 'tagradh DNA; 92:
Pn: US200400400400400407 Duilleag: 20 Air a chuir a-steach DNA; 9: PN: WOMANT007007825 Duilleag: 62 Chaidh DNA a chuir a-steach;N4-Benzolyl-2 '-O-methogyethyl-5-O- DimEthoxyTrityl-5-Methylcytidine-3 '-hophoshounidite;N4-Benzolyl-2 '-O-methoxythythyl-5 '-O-DIMEHOXYTRTYL-5-methylcytidine-3 '- amaidite
Spectra ri fhaighinn
13 c nmr
Hetero nmr
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 171 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1250 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 47600 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 6.44 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 7.79 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.63 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 30800 | 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 | 106 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 773 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 29500 | Ph 3; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 3.99 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 8.02 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 8.70 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 8.16 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 4.83 X 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 1.01 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 19100 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 4.48 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 5.34 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 6.92 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 8.06 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 8.36 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 8.39 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 8.37 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 8.14 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 7.46 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 6.73 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 1.4 x 10-4 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.1 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.16 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.1 X 10-3 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.0 x 10-4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.5 x 10-4 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.4 x 10-4 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.5 x 10-4 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 2.5 x 10-4 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.2 x 10-3 G / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 6.3 X 10-3 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.5 x 10-4 G / L | Uisge Unbuffered PH 6.97; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 1.5 x 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.2 x 10-3 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 1.7 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 4.4 x 10-6 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.2 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.6 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.5 x 10-7 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.6 x 10-7 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.7 x 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.3 x 10-6 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.8 x 10-6 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.6 x 10-7 Mol / L. | Uisge Unbuffered PH 6.97; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 922.01 | ||
paka | 8.59 ± 00 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | 3.87 ± 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 | 22 | (1) ACD | |
Hrrairean | 15 | (1) ACD | |
Hnors her | 1 | (1) ACD | |
H tabhartaiche / geurraiche suim | 16 | (1) ACD | |
logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 922.01 |
(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 | 176 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
1 h nmr
13 c nmr