359437-01-7 (甲基alpha-D-吡喃葡萄糖苷2,3,4,6-四-O-硫酸盐,钾盐,Methyl a-D-Glucopyranoside 2,3,4,6-tetra-O-sulfate, Potassium Salt (Technical Grade))

CAS号:
359437-01-7
中文名称:
甲基alpha-D-吡喃葡萄糖苷2,3,4,6-四-O-硫酸盐,钾盐
英文名称:
Methyl a-D-Glucopyranoside 2,3,4,6-tetra-O-sulfate, Potassium Salt (Technical Grade)
分子式:
C7H10K4O18S4
分子量:
666.796702861786

甲基alpha-D-吡喃葡萄糖苷2,3,4,6-四-O-硫酸盐,钾盐(359437-01-7)名称与标识符

名称

中文别名:
吉西他滨单磷酸酯;甲基alpha-D-吡喃葡萄糖苷2,3,4,6-四-O-硫酸盐,钾盐;
英文别名:
Methyl α-D-Glucopyranoside 2,3,4,6-tetra-O-sulfate, Potassium Salt;METHYL A-D-GLUCOPYRANOSIDE 2,3,4,6-TETRASULFATE, POTASSIUM SALT;Methyl α-D-Glucopyra;tetrapotassium,[(2S,3R,4S,5R,6R)-2-methoxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate;A-D-Glucopyranoside 2,3,4,6-tetra-O-sulfate,Potassium Salt;Methyl;

标识符

InChIKey:
HZPXCLIBFFIKEA-RBPNTIJJSA-J
Inchi:
1S/C7H14O18S4.4K/c1-20-7-6(25-29(17,18)19)5(24-28(14,15)16)4(23-27(11,12)13)3(22-7)2-21-26(8,9)10;;;;/h3-7H,2H2,1H3,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19);;;;/q;4*+1/p-4/t3-,4-,5+,6-,7+;;;;/m1..../s1
SMILES:
[K+].[K+].[K+].[K+].S(=O)(=O)([O-])O[C@@H]1[C@H]([C@@H](OC)O[C@H](COS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-]

甲基alpha-D-吡喃葡萄糖苷2,3,4,6-四-O-硫酸盐,钾盐(359437-01-7)物化性质

实验特性

  • LogP : -0.30610
  • PSA : 317.70000

计算特性

  • 精确分子量 : 665.73000