2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol

HCID 11285366

基本情報

標準SMILES: CCOC1O[C@@H](CO)[C@H](COc2c(C(C)(C)C)cc(SC(C)(C)Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2C(C)(C)C)O1
InChIKey: YSBIUPKSQVDYDX-BVKSZRQYSA-N
分子式: C38H60O6S2
平均分子量: 677 g/mol
単同位体質量: 676.38313198

名称と識別子

優先名称: 2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol
IUPAC: 2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[[(4S,5S)-2-ethoxy-5-(hydroxymethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]sulfanylpropan-2-ylsulfanyl]phenol

名称と別名

SCHEMBL5574412YSBIUPKSQVDYDX-BVKSZRQYSA-N2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol

データベース識別子

PubChem CID: 11285366

物性

構造計算による物性

XLogP: 11.1
極性表面積: 128 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 14
重原子数: 46
形式電荷: 0
複雑度: 897