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Phytolacca cerebroside | 336622-97-0

Phytolacca cerebroside结构式图片|336622-97-0结构式图片
Phytolacca cerebroside
Unii-3M9T3AX86F
336622-97-0
C48H93NO10
844.2527
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Phytolacca cerebroside结构式
9832502
名称和标识符
InChIKey QZNIVVAKPLIDJX-BFCDFHHJSA-N
Inchi 1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,49,57)/b29-27-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
SMILES O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC([H])([H])[C@@]([H])([C@@]([H])([C@@]([H])(C([H])([H])C([H])([H])C([H])([H])/C(/[H])=C(/[H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[H])O[H])N([H])C([C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[H])=O
别名信息
- 中文别名 -
- 英文别名 -
  • 3M9T3AX86F
  • Phytolacca cerebroside
  • Glucosyl ceramide, phytolacca cerebroside-
  • (2R)-N-((1S,2S,3R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2,3-dihydroxy-7-heptadecen-1-yl)-2-hydroxytetracosanamide (
  • (2R)-N-((1S,2S,3R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2,3-dihydroxyheptadec-7-en-1-yl)-2-hydroxytetracosanamide
  • (4R,8Z)-1-O-beta-D-Glucopyranosyl-N-[(2R)-1-oxo-2-hydroxytetracosyl]-4-hydroxy-8-sphingenine
  • 1-o-beta-Glucopyranosyl-(2S,3S,4R,8Z)-2-N-((2'R)-hydroxytetracos
  • Unii-3M9T3AX86F
  • (2R)-N-((1S,2S,3R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2,3-DIHYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXYTETRACOSANAMIDE (
  • 1-o-beta-Glucopyranosyl-(2S,3S,4R,8Z)-2-N-((2'R)-hydroxytetracosanoyl)-4-hydroxy-8-sphingenine
  • TETRACOSANAMIDE, N-((1S,2S,3R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2,3-DIHYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXY-, (2R)-
  • UNII-3M9T3AX86F
  • Tetracosanamide, N-((1S,2S,3R,7Z)-1-((beta-D-glucopyranosyloxy)methyl)-2,3-dihydroxy-7-heptadecen-1-yl)-2-hydroxy-, (2R)-
  • (2R)-N-((1S,2S,3R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2,3-DIHYDROXYHEPTADEC-7-EN-1-YL)-2-HYDROXYTETRACOSANAMIDE
  • 1-O-.BETA.-GLUCOPYRANOSYL-(2S,3S,4R,8Z)-2-N-((2'R)-HYDROXYTETRACOSANOYL)-4-HYDROXY-8-SPHINGENINE
  • CHEMBL2268777
  • 336622-97-0
物化性质
计算特性
精确分子量 843.67994816g/mol
氢键供体数量 8
氢键受体数量 10
可旋转化学键数量 41
同位素质量 843.67994816g/mol
重原子数量 59
复杂度 972
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 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) 13.3
拓扑分子极性表面积 189
专业数据库参考
PubChemId 9832502
960化工网为您提供Phytolacca cerebroside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.:336622-97-0,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:336622-97-0
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