C34H39N3O8 Cytidine, 5'-O- [4-modh-chèile) -5-methyl- (9ci, ACI)
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 617.69 | - |
Puing goil (ro-innse) | 762.6 ± 70.0 ° C. | Brùth: 760 Torr |
Dùmhlachd (ro-innse) | 1.27 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 13.31 ± 0.70 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c1n = c (n) c (= CC1C2oC (CC = CC = C (OC = C (OC) C = c3) C (O) C2OCCoC) c
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Inchi
Inchi = 1s / c34h39N3O8 / C1-2-20-37 (33-18-5-5-5-5-5-5-9-22,24-26 (4 1-3) 15-11-24) 25-11-27 (42-4) 17-13-25 / H5-17-30,32,38-, 30-, 32- / S1
Iuchair Inchi
LyktvjjXXZQXTNPK-piumlimbo-n
24 ainmean eile airson an stuth seo
5'-o- [BIS (4-Bùth-latha-cluiche) dha -2'-o- (2-neach-breithn-methylcytidine (ACI); 11: PN: US20030170636 Duilleag: 17 A 'tagradh RNA; 12: PN: US20030211606 Duilleag: 18 A 'tagradh R na; 12: PN: US20030212017 duilleag: 19 A 'tagradh r na; 14: PN: US20040040040040040005569 Pag E: 21 A 'tagradh R na; 15: PN: US200400400400400400400400400465 Duilleag: 17- Chaidh RNA a tha a 'tagradh; 15: PN: US200400400400400400055570 Duilleag: 19 A 'tagradh R na; 15: PN: U S20040006030 Duilleag: 22 A 'tagradh R na; 15: PN: US2004004004048 Duilleag: 19 A 'tagradh r na; 16: PN: US200301713 Page1313 Duilleag1313 Duilleag: 9 tagradh rna; 16: PN: US20030198965 Duilleag: 19 Air an tagradh r na; 16: PN: US2004004047 Duilleag: 19 A 'tagradh r na; 16: PN: US2004004049 Duilleag:
19 A chaidh a ràdh RNA; 17: PN: US2004004004051 Duilleag: 21 Airgradh R na; 17: PN: US2004004004004699 Duilleag: 19 Air an tagradh r na; 17: PN: W.
O03106645 Duilleag: 69 Chaidh 69 a thagh R na; 18: PN: US20040040040040006029 Duilleag: 22 Air a thiaras r na; 2'-o-modh-obrach-5'-o-DimethoxystryTrityl-5- methylcytidine; 58: PN: US20030-120016692 Duilleag: 15 A 'tagradh R na; 5: PN: WOMANTO2005006958 Duilleag: 61 Chaidh 61 a thagradh R na; 7: PN: W20050 07825 Duilleag: 61 Chaidh 61 a-steach R na; 82: PN: US2004017156666666 Duilleag: 18 A 'tagradh r na; 89: PN: US200400400400400400400057 Duilleag: 19 Air an tagradh r na; 9: PN: W03084478 Duilleag: 56 Chaidh 56 a thonas r na
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Thermal |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 1.56 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.99 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 6.19 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 38.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 116 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 146 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 150 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 151 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 151 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 151 | 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 | 13.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 16.6 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 51.8 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 318 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 966 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 1220 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 7; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 1260 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 1.18 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 1.29 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 1.78 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 2.57 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 3.05 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 3.16 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 3.17 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 3.17 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 3.17 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 3.17 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 5.2 x 10-3 G / L. | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.51 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.40 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.13 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.020 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 6.8 x 10-3 G / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.4 X 10-3 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.3 X 10-3 G / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.2 x 10-3 G / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.2 x 10-3 G / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.2 x 10-3 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.3 X 10-3 G / L. | Uisge Unbuffered PH 7.05; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 8.4 x 10-6 mol / l | Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.2 x 10-4 mol / l | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.4 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.1 x 10-4 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.3 X 10-5 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.1 x 10-5 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 8.7 x 10-6 mol / l | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.5 x 10-6 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.4 x 10-6 mol / l | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.4 x 10-6 mol / l | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.4 x 10-6 mol / l | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.5 x 10-6 Mol / L. | Uisge Unbuffered PH 7.05; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 617.69 | ||
paka | 13.31 ± 0.70 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | 4.58 ± 0.10 | Temp as bunaitiche: 25 ° C. | (1) ACD |
Cuideam vapor | 1.89 x 10-24 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)
Dùmhlachd
Seilbh | Luach | Suidheachadh | Stòr |
Dùmhlachd | 1.27 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 48.8 ± 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 | 14 | (1) ACD | |
Hrrairean | 11 | (1) ACD | |
Hnors her | 3 | (1) ACD | |
H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 617.69 |
(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 | 134 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Point Point | 762.6 ± 70.0 ° C. | Brùth: 760 Torr | (1) ACD |
Enthalpy of Vaporization | 116.53 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
Puing Flash | 415.0 ± 35.7 ° 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