(z)-7-((1r,2s,3r,5s)-3-(Tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-hydroxy-cyclopentyl)-hept-5-enoic acid methyl ester

HCID 69367459

基本情報

標準SMILES: COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(O[Si](C)(C)C(C)(C)C)C3CCCCC3)cc2)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O
InChIKey: UVFYHJIASOCMAX-FIDDLHAVSA-N
分子式: C38H66O5Si2
平均分子量: 659.1 g/mol

名称と識別子

優先名称: (z)-7-((1r,2s,3r,5s)-3-(Tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-hydroxy-cyclopentyl)-hept-5-enoic acid methyl ester
IUPAC: methyl (Z)-7-[(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]phenyl]-5-hydroxycyclopentyl]hept-5-enoate

名称と別名

SCHEMBL5241156UVFYHJIASOCMAX-FIDDLHAVSA-N(z)-7-((1r,2s,3r,5s)-3-(tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-hydroxy-cyclopentyl)-hept-5-enoic acid methyl ester

データベース識別子

PubChem CID: 69367459

物性

構造計算による物性

極性表面積: 65 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 16
重原子数: 45
形式電荷: 0
複雑度: 935