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Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-,[R-[R*,S*-(E)]]- (9CI) | 128443-10-7

Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-,[R-[R*,S*-(E)]]- (9CI)结构式图片|128443-10-7结构式图片
Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-,[R-[R*,S*-(E)]]- (9CI)
128443-10-7
C60H113NO18
1136.53512
6443991
名称和标识符
InChIKey MELLMPHBVJVVQV-LCTYFHFESA-N
Inchi InChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-60-57(79-59-55(73)53(71)50(68)46(40-63)76-59)56(51(69)47(41-64)77-60)78-58-54(72)52(70)49(67)45(39-62)75-58/h35,37,43-47,49-60,62-65,67-73H,3-34,36,38-42H2,1-2H3,(H,61,66)/b37-35+/t43-,44+,45+,46+,47+,49+,50+,51+,52-,53-,54-,55-,56-,57+,58+,59-,60+/m0/s1
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](/C=C/CCCCCCCCCCCCC)O)=O
别名信息
- 中文别名 -
- 英文别名 -
  • N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-
  • O-mannopyranosyl-(1-3)-O-mannopyranosyl-(1-4)-O-glucopyranosyl-(1-1)-2-N-tetracosanoylsphingenine
  • 3)-O-b-D-mannopyranosyl-(1&reg
  • 4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-,[R-[R*,S*-(E)]]- (9CI)
  • alpha-D-Manp-(1-3)-beta-D-manp-(1-4)-beta-D-glcp-(1-1)-cer
  • Mmgcer
  • N-[(1S,2R,3E)-2-hydroxy-1-({[alpha-D-mannopyranosyl-(1->3)-[beta-D-mannopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}methyl)heptadec-3-en-1-yl]tetracosanamide
  • 128443-10-7
  • N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide
  • O-Mannopyranosyl-(1-3)-O-mannopyranosyl-(1-4)-O-glucopyranosyl-(1-1)-2-N-tetracosanoylsphingenine
物化性质
实验特性
PSA 307.01
折射率 1.55
沸点 1159°Cat760mmHg
闪点 654.8°C
密度 1.19
计算特性
精确分子量 1135.79609
氢键供体数量 12
氢键受体数量 18
可旋转化学键数量 47
同位素质量 1135.795766
重原子数量 79
复杂度 1500
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 1
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) 12.4
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 307
专业数据库参考
PubChemId 6443991
化合物详情(旧版)

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)\C=C\CCCCCCCCCCCCC)CO[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@@H](CO)O1

Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-,[R-[R*,S*-(E)]]- (9CI)推荐生产厂家
960化工网为您提供Tetracosanamide,N-[2-hydroxy-1-[[(O-a-D-mannopyranosyl-(1®3)-O-b-D-mannopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-,[R-[R*,S*-(E)]]- (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.:128443-10-7,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:128443-10-7
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