透明质酸

(4xi)-alpha-D-xylo-Hexopyranuronosyl-(1->3)-(3xi)-2-(acetylamino)-2-deoxy-beta-D-ribo-hexopyranosyl-(1->4)-(5xi)-beta-D-xylo-hexopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-D-glucopyranose · CAS 9004-61-9

中文名: 透明质酸
中文别名: 暂无
英文名: (4xi)-alpha-D-xylo-Hexopyranuronosyl-(1->3)-(3xi)-2-(acetylamino)-2-deoxy-beta-D-ribo-hexopyranosyl-(1->4)-(5xi)-beta-D-xylo-hexopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-D-glucopyranose
CAS: 9004-61-9
CID: 24728612
IUPAC 名称: (2S,4S,5R,6S)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(3S,4R,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

名称与编号

中文名: 透明质酸
中文别名: 暂无
英文名: (4xi)-alpha-D-xylo-Hexopyranuronosyl-(1->3)-(3xi)-2-(acetylamino)-2-deoxy-beta-D-ribo-hexopyranosyl-(1->4)-(5xi)-beta-D-xylo-hexopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-D-glucopyranose
CAS: 9004-61-9
CID: 24728612
IUPAC 名称: (2S,4S,5R,6S)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(3S,4R,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

分子属性

分子式: C28H44N2O23
分子量: 776.6 g/mol
精确质量: 776.23348565 Da
单同位素质量: 776.23348565 Da
XLogP: -7.4
极性表面积: 400 Å²
氢键供体: 14
氢键受体: 23
可旋转键: 12
重原子数: 53
净电荷: 0
结构复杂度: 1300

结构标识

InChIKey: KIUKXJAPPMFGSW-YXBJCWEESA-N
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)C(=O)O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H](C([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O
InChI: InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14?,15-,16-,17-,18-,19?,20+,21+,22?,25?,26+,27+,28-/m1/s1