14167-70-5 ((Thymidine5'-(tetrahydrogen triphosphate), a-hydroxy- (9CI))

CAS号:
14167-70-5
英文名称:
Thymidine5'-(tetrahydrogen triphosphate), a-hydroxy- (9CI)
分子式:
C10H17N2O15P3
分子量:
498.167666196823

Thymidine5'-(tetrahydrogen triphosphate), a-hydroxy- (9CI)(14167-70-5)名称与标识符

名称

英文别名:
Thymidine5'-(tetrahydrogen triphosphate), a-hydroxy- (9CI);[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;hydroxymethyldeoxyuridine triphosphate;2'-deoxy-5-(hydroxymethyl)uridine 5'-(tetrahydrogen triphosphate);5-Hydroxymethyl-2'-deoxyuridine 5'-triphosphate;Hmdutp;Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)-;Aids000628;Aids-000628;5-Ch2OH-2'-dutp;5-Hydroxymethyl-dutp;5-Hydroxymethyl-2'-deoxyuridine-5'-triphosphate;Thymidine 5'-(tetrahydrogen triphosphate), alpha-hydroxy-;14167-70-5;[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;5-hydroxymethyldeoxyuridine triphosphate;[[(2R,3S,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate;DTXSID10161792;A810795;A-Hydroxythymidine 5 inverted exclamation marka-(tetrahydrogen triphosphate);SCHEMBL16053560;

标识符

InChIKey:
RLHFVRMIEVOHOR-XLPZGREQSA-N
Inchi:
1S/C10H17N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
SMILES:
P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H](C[C@H](N2C(NC(C(CO)=C2)=O)=O)O1)O

Thymidine5'-(tetrahydrogen triphosphate), a-hydroxy- (9CI)(14167-70-5)物化性质

实验特性

  • LogP : -1.56710
  • PSA : 258.92
  • 折射率 : 1.621
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.997

计算特性

  • 精确分子量 : 497.98421
  • 氢键供体数量 : 7
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 9
  • 同位素质量 : 497.984
  • 重原子数量 : 30
  • 复杂度 : 869
  • 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) : _5.7
  • 拓扑分子极性表面积 : 259Ų

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