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己二酸,21-[(O-6-O-乙酰基-b-D-吡喃葡萄糖基-(1,2)-O-b-D-吡喃木糖基-(1,2)-4-O-乙酰基-b-D-吡喃木糖基)氧基]-2,16,17-三羟基-(2S,16R,17S,21R)-(9CI) | 134479-76-8

己二酸,21-[(O-6-O-乙酰基-b-D-吡喃葡萄糖基-(1,2)-O-b-D-吡喃木糖基-(1,2)-4-O-乙酰基-b-D-吡喃木糖基)氧基]-2,16,17-三羟基-(2S,16R,17S,21R)-(9CI)结构式图片|134479-76-8结构式图片
己二酸,21-[(O-6-O-乙酰基-b-D-吡喃葡萄糖基-(1,2)-O-b-D-吡喃木糖基-(1,2)-4-O-乙酰基-b-D-吡喃木糖基)氧基]-2,16,17-三羟基-(2S,16R,17S,21R)-(9CI)
Hexacosanoic acid,21-[(O-6-O-acetyl-b-D-glucopyranosyl-(1®2)-O-b-D-xylopyranosyl-(1®2)-4-O-acetyl-b-D-xylopyranosyl)oxy]-2,16,17-trihydroxy-,(2S,16R,17S,21R)- (9CI)
134479-76-8
C46H82O21
971.130680000001
3083209
名称和标识符
InChIKey UBCWOWKILIETKQ-NSMKLYECSA-N
Inchi InChI=1S/C46H82O21/c1-4-5-15-19-29(20-18-23-31(50)30(49)21-16-13-11-9-7-6-8-10-12-14-17-22-32(51)43(58)59)64-46-42(67-44-39(56)36(53)33(52)24-61-44)41(35(26-62-46)63-28(3)48)66-45-40(57)38(55)37(54)34(65-45)25-60-27(2)47/h29-42,44-46,49-57H,4-26H2,1-3H3,(H,58,59)/t29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39-,40-,41+,42-,44+,45+,46+/m1/s1
SMILES CCCCC[C@@H](O[C@@H]1OC[C@@H](OC(=O)C)[C@H](O[C@@H]2O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CCC[C@@H]([C@@H](CCCCCCCCCCCCC[C@@H](C(=O)O)O)O)O
别名信息
- 中文别名 -
- 英文别名 -
  • (2S-(2R*,16S*,17R*,21S*))-21-((O-6-O-Acetyl-beta-D-glucopyranosyl-(1-2 )-O-beta-D-xylopyranosyl-(1-2)-4-O-acetyl-beta-D-xylopyranosyl)oxy)-2, 16,17-trihydroxyhexacosanoic acid
  • (2S,16R,17S,21R)-21-[(2S,3R,4S,5R)-5-acetyloxy-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,16,17-trihydroxyhexac
  • (2S,16R,17S,21R)-21-{[6-O-acetyl-beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-4-O-acetyl-beta-D-xylopyranosyl]oxy}-2,16,17-trihydroxyhexacosanoic acid
  • 2)-4-O-acetyl-b-D-xylopyranosyl)oxy]-2,16,17-trihydroxy-,(2S,16R,17S,21R)- (9CI)
  • 2)-O-b-D-xylopyranosyl-(1&reg
  • glykenin IV
  • 134479-76-8
  • Glykenin IV
  • Hexacosanoic acid, 21-((O-6-O-acetyl-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-4-O-acetyl-beta-D-xylopyranosyl)oxy)-2,16,17-trihydroxy-, (2S-(2R*,16S*,17R*,21S*))-
  • (2S-(2R*,16S*,17R*,21S*))-21-((O-6-O-Acetyl-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-4-O-acetyl-beta-D-xylopyranosyl)oxy)-2,16,17-trihydroxyhexacosanoic acid
  • (2S-(2R*,16S*,17R*,21S*))-21-((O-6-O-Acetyl-beta-D-glucopyranosyl-(1-2 )-O-beta-D-xylopyranosyl-(1-2
  • (2S,16R,17S,21R)-21-[(2S,3R,4S,5R)-5-acetyloxy-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,16,17-trihydroxyhexacosanoic acid
  • Glykenin ivb
  • DTXSID40158736
  • Glykenin iva
物化性质
实验特性
折射率 1.558
沸点 1037.4°C at 760 mmHg
闪点 290°C
密度 1.31
计算特性
精确分子量 970.535
氢键供体数量 10
氢键受体数量 21
可旋转化学键数量 35
同位素质量 970.535
重原子数量 67
复杂度 1380
同位素原子数量 0
确定原子立构中心数量 17
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 1
疏水参数计算参考值(XlogP) 3
拓扑分子极性表面积 327Ų
专业数据库参考
PubChemId 3083209
960化工网为您提供己二酸,21-[(O-6-O-乙酰基-b-D-吡喃葡萄糖基-(1,2)-O-b-D-吡喃木糖基-(1,2)-4-O-乙酰基-b-D-吡喃木糖基)氧基]-2,16,17-三羟基-(2S,16R,17S,21R)-(9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:134479-76-8,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:134479-76-8
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