73264-44-5 (蔗糖八硫酸酯钾盐,Sucrose Octasulfate Potassium Salt)

CAS号:
73264-44-5
中文名称:
蔗糖八硫酸酯钾盐
英文名称:
Sucrose Octasulfate Potassium Salt
分子式:
C12H14K8O35S8
分子量:
1287.52496480942
API:

蔗糖八硫酸酯钾盐(73264-44-5)名称与标识符

名称

中文别名:
rac 5-羟基丙戊羧酸钠盐;蔗糖八硫酸钾;蔗糖八硫酸酯钾;蔗糖八硫酸酯钾 EP标准品;蔗糖八硫酸酯钾盐;
英文别名:
a-D-Glucopyranoside,1,3,4,6-tetra-O-sulfo-b-D-fructofuranosyl, 2,3,4,6-tetrakis(hydrogen sulfate), potassium salt(1:8);Sucrose Octasulfate, Potassium Salt;Sucrose Octasulfate;Sucrose octasulfate (potassium salt);potassium salt of sucrose octasulfate;potassium sucrose octasulfate;potassium sucrose octasulphate;sucrose sulfate;Sucrosofate PotassiuM;Potassium (2R,3R,4S,5R,6R)-2-(((2S,3S,4R,5R)-3,4-bis(sulfonatooxy)-2,5-bis((sulfonatooxy)methyl)tetrahydrofuran-2-yl)oxy)-6-((sulfonatooxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(sulfate);MFCD00270080;EC 615-946-5;NS00078634;octapotassium;[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate;Sucrosofate potassium anhydrous;EX-A5420D;XISWAUUBQBEDFB-QRDGSJRXSA-F;AS-19136;[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate;SUCROSEOCTASULFATEPOTASSIUMSALT;Q27273769;SucrosofatePotassium;73264-44-5;EX-A5420A;alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl, 2,3,4,6-tetrakis(hydrogen sulfate), potassium salt (1:8);Octapotassium (2R,3R,4S,5R,6R)-2-(((2S,3S,4R,5R)-3,4-disulfato-2,5-bis(sulfatomethyl)oxolane-2-yl)oxy)-3,4,5- trisulfato-6-(sulfatomethyl)oxane;UNII-A8CB6ERJ54;Sucrose octasulfate potassium salt;.ALPHA.-D-GLUCOPYRANOSIDE, 1,3,4,6-TETRA-O-SULFO-.BETA.-D-FRUCTOFURANOSYL, 2,3,4,6-TETRAKIS(HYDROGEN SULFATE), POTASSIUM SALT (1:8);A8CB6ERJ54;POTASSIUM SUCROSE OCTASULFATE [USP-RS];AKOS027257275;

标识符

MDL:
MFCD00270080
InChIKey:
XISWAUUBQBEDFB-QRDGSJRXSA-F
Inchi:
1S/C12H22O35S8.8K/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;/q;8*+1/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1
SMILES:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].S(=O)(=O)([O-])O[C@H]1[C@@H]([C@@H](COS(=O)(=O)[O-])O[C@@]1(COS(=O)(=O)[O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-]

蔗糖八硫酸酯钾盐(73264-44-5)物化性质

实验特性

  • LogP : -0.87320
  • PSA : 626.17000
  • 熔点 : >230°C
  • 溶解度 : Water (Sparingly)

计算特性

  • 精确分子量 : 1285.42000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 35
  • 可旋转化学键数量 : 21
  • 同位素质量 : 1285.4177834g/mol
  • 重原子数量 : 63
  • 复杂度 : 2130
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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 : 9
  • 拓扑分子极性表面积 : 626Ų

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蔗糖八硫酸酯钾盐(73264-44-5)参考资料

Reaxys RN:
PubChem CID: