6700-42-1 (六水甲萘氢醌二磷酸酯钠,MENADIOLSODIUMPHOSPHATEHEXAHYDRATE)

CAS号:
6700-42-1
中文名称:
六水甲萘氢醌二磷酸酯钠
英文名称:
MENADIOLSODIUMPHOSPHATEHEXAHYDRATE
分子式:
C11H20Na4O14P2
分子量:
530.174710273743

六水甲萘氢醌二磷酸酯钠(6700-42-1)名称与标识符

名称

中文别名:
艾瑞布林;甲萘氢醌二磷酸酯钠;六水甲萘氢醌二磷酸酯钠;
英文别名:
MENADIOLSODIUMPHOSPHATEHEXAHYDRATE;MENADIOL SODIUM DIPHOSPHATE;1,4-Naphthalenediol, 2-methyl-, bis(dihydrogen phosphate), tetrasodium salt, hexahydrate;2-Methyl-1,4-naphthalenediol, bis(dihydrogen phosphate), tetrasodium salt, hexahydrate;AC1L545K;Kappadione (TN);LS-94582;Menadiol sodium diphosphate (USP);Menadiol sodium diphosphate hexahydrate;UNII-2OVL75B30W;Kativ;Synkayvite;Menadione diphosphate tetrasodium salt;Synkavite;Synka-Vit;2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate) tetrasodium salt, hexahydrate;EINECS 205-012-1;Menadiol tetrasodium diphosphate;Tetrasodium 2-methyl-1,4-naphthahydroquinone diphosphoric acid ester;MENADIOL SODIUM DIPHOSPHATE [VANDF];MENADIOL SODIUM DIPHOSPHATE [ORANGE BOOK];Caidrine;Sodium menadione diphosphate;2OVL75B30W;DTXSID50217202;Sodium 2-methylnaphthalene-1,4-diyl bis(phosphate) hexahydrate;Q27255266;Menadione sodium phosphate;tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate;hexahydrate;Menadiol sodium phosphate hexahydrate;MENADIOL SODIUM DIPHOSPHATE (USP IMPURITY);2-METHYL-1,4-NAPHTHALENEDIOL BIS(DIHYDROGEN PHOSPHATE) TETRASODIUM SALT;Synkavit;MENADIOL SODIUM DIPHOSPHATE [USP IMPURITY];Sodium2-methylnaphthalene-1,4-diylbis(phosphate)hexahydrate;2-Methyl-1,4-naphthaquinol bis(disodium phosphate);Procoagulo;1,4-NAPHTHALENEDIOL, 2-METHYL-, BIS(DIHYDROGEN PHOSPHATE), TETRASODIUM;2-Methyl-1,4-naphthohydroquinone diphosphoric acid ester tetrasodium salt;6700-42-1;Kipca water soluble;Tetrasodium 2-methyl-1,4-naphthylenebis(phosphate);DTXCID10139693;Tetrasodium 2-methyl-1,4-naphthohydroquinone diphosphate;DTXSID80156832;CHEMBL3989728;UNII-R2L46WE615;Tetrasodium 2-methyl-1,4-naphthalenediol diphosphate;menadiol sodium phosphate;Tetrasodium 2-methyl-1,4-naphthalenediol bis(dihydrogen phosphate);Phosphoric acid, diester with 2-methyl-1,4-naphthalenediol, tetrasodium salt;D04908;1,4-Naphthalenediol, 2-methyl-, diphosphate, tetrasodium salt;Thylokay;Menadiol sodium diphosphate [USP];DTXCID7079323;1:4-Naphthaquinol-bisdisodium phosphate;2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate) tetrasodium salt hexahydrate;tetrasodium,(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate,hexahydrate;

标识符

InChIKey:
QIWDGSYHBCMXSI-UHFFFAOYSA-J
Inchi:
1S/C11H12O8P2.4Na.6H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;;;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;;6*1H2/q;4*+1;;;;;;/p-4
SMILES:
P(=O)([O-])([O-])OC1C(C)=CC(=C2C=CC=CC2=1)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O

六水甲萘氢醌二磷酸酯钠(6700-42-1)物化性质

计算特性

  • 精确分子量 : 529.99190643g/mol
  • 氢键供体数量 : 6
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 2
  • 同位素质量 : 529.99190643g/mol
  • 重原子数量 : 31
  • 复杂度 : 434
  • 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 : 11
  • 拓扑分子极性表面积 : 151Ų