3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[4,6,6-trihydroxy-4,6-dioxo-3,5-dioxa-4,6-diphospha(V)hexan-1-yl]thiazol-3-ium

• 常用名: 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[4,6,6-trihydroxy-4,6-dioxo-3,5-dioxa-4,6-diphospha(V)hexan-1-yl]thiazol-3-ium
• 英文名: 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[4,6,6-trihydroxy-4,6-dioxo-3,5-dioxa-4,6-diphospha(V)hexan-1-yl]thiazol-3-ium
• CAS号: 136-08-3
• 分子量: 424.30600
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₂H₁₈N₄O₇P₂S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl] hydrogen phosphate,hydron

物理化学性质

• 分子式: C₁₂H₁₈N₄O₇P₂S
• 分子量: 424.30600
• 精确质量: 424.03700
• PSA: 220.39000
• LogP: 1.21000
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:11

  4.可旋转化学键数量:8

  5.互变异构体数量:3

  6.拓扑分子极性表面积203

  7.重原子数量:26

  8.表面电荷:0

  9.复杂度:557

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

英文别名

• 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-trihydroxydiphosphoryloxy-ethyl)-thiazolium
• Pyrophosphoric ester of thiamine
• Thiamine pyrophosphate
• Cocarboxylase [INN:BAN:DCF:JAN]
• thiamine diphosphate
• Cocarboxylase [INN]
• thiamin diphosphate