3545-84-4 ((2-氨基-4-氧代-1,4,7,8-四氢蝶呤-6-基)甲基三氢二磷酸,(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate)

CAS号:
3545-84-4
中文名称:
(2-氨基-4-氧代-1,4,7,8-四氢蝶呤-6-基)甲基三氢二磷酸
英文名称:
(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate
分子式:
C7H11N5O8P2
分子量:
355.138462305069

(2-氨基-4-氧代-1,4,7,8-四氢蝶呤-6-基)甲基三氢二磷酸(3545-84-4)名称与标识符

名称

英文别名:
(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate;(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate;H2-6-Hydroxymethylpterin;Diphosphoric acid, mono((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl) ester;NSC-619900;3545-84-4;Pteridine diphosphate;(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate;7,8-Dihydropterin pyrophosphate;Diphosphoric acid mono((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl) ester;(7,8-dihydropterin-6-yl)methyl diphosphate;6-(HYDROXYMETHYL)-7,8-DIHYDROPTERIN PYROPHOSPHATE;6-hydroxymethyl-7,8-dihydropterin diphosphate;2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine;Q4596859;CHEMBL1229984;(4-Hydroxy-2-imino-1,2,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate;CHEBI:73083;CFG9B839S3;DIPHOSPHORIC ACID, P-((2-AMINO-3,4,7,8-TETRAHYDRO-4-OXO-6-PTERIDINYL)METHYL) ESTER;NSC619900;2-amino-4-oxo-6-hydroxymethyl-3,4,7,8-tetrahydropterin diphosphate;(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl phosphono hydrogen phosphate;CHEBI:15998;DTXSID60956857;C04807;SCHEMBL381156;2-AMINO-4-HYDROXY-6-(HYDROXYMETHYL)-7,8-DIHYDROPTERIDINE PYROPHOSPHATE;6-hydroxymethyldihydropterin diphosphate;2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate;(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyltrihydrogendiphosphate;(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl trihydrogen diphosphate;NCI60_005840;6-PTERIDINEMETHANOL, 2-AMINO-7,8-DIHYDRO-4-HYDROXY-, 6-PYROPHOSPHATE;(2-Amino-4-hydroxy-7,8-dihydro-6-pteridinyl)methyl trihydrogen diphosphate;(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methyl phosphono hydrogen phosphate;6-PTERIDINEMETHANOL, 2-AMINO-7,8-DIHYDRO-4-HYDROXY-, .ALPHA.-(TRIHYDROGEN PYROPHOSPHATE);UNII-CFG9B839S3;2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine;2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydro pteridine diphosphate;

标识符

InChIKey:
FCQGJGLSOWZZON-UHFFFAOYSA-N
Inchi:
1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
SMILES:
P(=O)(O)(OP(=O)(O)O)OCC1CNC2=C(C(NC(N)=N2)=O)N=1

(2-氨基-4-氧代-1,4,7,8-四氢蝶呤-6-基)甲基三氢二磷酸(3545-84-4)物化性质

实验特性

  • PSA : 205.16

计算特性

  • 精确分子量 : 355.00843
  • 氢键供体数量 : 6
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 5
  • 同位素质量 : 355.00828632g/mol
  • 重原子数量 : 22
  • 复杂度 : 693
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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) : -4.2
  • 拓扑分子极性表面积 : 205Ų

(2-氨基-4-氧代-1,4,7,8-四氢蝶呤-6-基)甲基三氢二磷酸(3545-84-4)相关文献