1668-09-3 (麦芽五糖,maltopentaose)

CAS号:
1668-09-3
中文名称:
麦芽五糖
英文名称:
maltopentaose
分子式:
C30H52O26
分子量:
828.718293190002

麦芽五糖(1668-09-3)名称与标识符

名称

中文别名:
麦芽五糖;渗透剂T;
英文别名:
maltopentaose;AMYLOPENTAOSE;D-maltopentaose;maltopentose;ethyl 2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylate;ethyl 2-(2-ethoxy-2-oxo-ethyl)-1,4-dimethyl-pyrrole-3-carboxylate;2-(2-ethoxy-2-keto-ethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester;4-O-[4-O-[4-O-(4-O-α-D-Glucopyranosyl-α-D-glucopyranosyl)-α-D-glucopyranosyl]-α-D-glucopyranosyl]-α-D-glucopyranose;4-O-[4-O-[4-O-[4-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]-α-D-glucopyranosyl]-α-D-glucopyranosyl]-α-D-glucopyranose;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;

标识符

InChIKey:
FJCUPROCOFFUSR-GMMZZHHDSA-N
Inchi:
1S/C30H52O26/c31-1-7(37)13(39)23(8(38)2-32)53-28-20(46)16(42)25(10(4-34)50-28)55-30-22(48)18(44)26(12(6-36)52-30)56-29-21(47)17(43)24(11(5-35)51-29)54-27-19(45)15(41)14(40)9(3-33)49-27/h1,7-30,32-48H,2-6H2/t7-,8+,9+,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+/m0/s1
SMILES:
[C@@H]1([C@H](O)[C@H]([C@@H](O[C@H]2[C@H](O)[C@H]([C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@@H]2CO)O)O[C@@H]1CO)O)O[C@@H]1[C@H](O)[C@H]([C@H](O[C@@H]2[C@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)[C@@H](CO)O1)O

麦芽五糖(1668-09-3)物化性质

实验特性

  • LogP : -12.08200
  • PSA : 434.82000
  • 溶解度 : H2O: 50 mg/mL, clear, colorless

计算特性

  • 精确分子量 : 828.27500
  • 氢键供体数量 : 17
  • 氢键受体数量 : 26
  • 可旋转化学键数量 : 13
  • 重原子数量 : 56

麦芽五糖(1668-09-3)安全信息

麦芽五糖(1668-09-3)国际标准相关数据

EINECS:
252-118-9

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