29706-85-2 (齐多夫定磷酸钠,5'-Thymidylic acid,3'-azido-3'-deoxy-)

CAS号:
29706-85-2
中文名称:
齐多夫定磷酸钠
英文名称:
5'-Thymidylic acid,3'-azido-3'-deoxy-
分子式:
C10H14N5O7P
分子量:
347.221222400665

齐多夫定磷酸钠(29706-85-2)名称与标识符

名称

中文别名:
齐多夫定磷酸钠;
英文别名:
5'-Thymidylic acid,3'-azido-3'-deoxy-;3´-Azido-3´-deoxythymidine 5’-Monophosphate Sodium Salt;[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;3?-Azido-3?-deoxythymidine 5’-Monophosphate Sodium Salt;3'-AZIDO-2',3'-DIDEOXY-THYMIDINE-5'-MONOPHOSPHATE, SODIUM SALT;3'-Azido-3'-deoxythymidine 5’-Monophosphate Sodium Salt;3'-Azido-3'-deoxythyMidine 5'-Monophosphate SodiuM Salt;3'-azido-2',3'-dideoxythymidine 5'-monophosphate;3'-azido-2',3'-dideoxythymidine monophosphate;3'-azido-3'-deoxythymidine-5'-monophosphate;5'-Thymidylic acid,3'-azido-3'-deoxy;AzddTMP;azidothymidine monophosphate;AZT-monophosphate;AZTMP;Zdv 5'-monophosphate;ZDVMP;Zidovudine 5'-monophosphate;Zidovudine monophosphate;UNII-97YMU05VPJ;3'-Azido-2',3'-deoxythymidine 5'-monophosphate;CHEMBL257695;SCHEMBL15094301;[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate;3'-Azido-3'-deoxythymidine 5'phosphate;97YMU05VPJ;3'-azido-3'-deoxythymidine monophosphate;29706-85-2;AZT 5'-MONOPHOSPHATE;NS00070697;3'-azido-3'-deoxythymidine 5'-(dihydrogen phosphate);Q27272049;NSC742230;OIFWQOKDSPDILA-XLPZGREQSA-N;DTXSID30183855;DB03666;5'-Thymidylic acid, 3'-azido-3'-deoxy-;BDBM50478975;AZT-MP;[(2S, 3S, 5R)-3-azido-5-(5-methyl-2, 4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;Zidovudine-monophosphate (AZT-MP);3'-Azido-3'-deoxythymidine 5'-phosphate;3'-Azido-2',3'-dideoxythymidine-5'-monophosphate;128506-29-6;

标识符

InChIKey:
OIFWQOKDSPDILA-XLPZGREQSA-N
Inchi:
1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
SMILES:
P(=O)(O)(O)OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)N=[N+]=[N-]

齐多夫定磷酸钠(29706-85-2)物化性质

实验特性

  • LogP : -0.51550
  • PSA : 168.21000
  • 熔点 : 154-160°C (dec.)
  • 溶解度 : Methanol (Slightly, Heated), Water (Slightly)

计算特性

  • 精确分子量 : 369.04500
  • 氢键供体数量 : 3
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 5
  • 同位素质量 : 347.06308480g/mol
  • 重原子数量 : 23
  • 复杂度 : 640
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1
  • 拓扑分子极性表面积 : 140Ų

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齐多夫定磷酸钠(29706-85-2)参考资料

Reaxys RN:
PubChem CID: