(2R,3S,4S,5R,6S)-3,4,5-tris(Benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolylthio)tetrahydro-2H-pyran (HCID 11050551)

基本情報

標準SMILES: Cc1ccc(S[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIKey: DDEYRWOAKGAYDF-RSGFCBGISA-N
分子式: C41H42O5S
平均分子量: 646.8 g/mol

名称と識別子

優先名称: (2R,3S,4S,5R,6S)-3,4,5-tris(Benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolylthio)tetrahydro-2H-pyran
IUPAC: (2S,3R,4S,5S,6R)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

名称と別名

211678-08-9(2R,3S,4S,5R,6S)-3,4,5-tris(Benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolylthio)tetrahydro-2H-pyran4-Methylphenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-beta-D-galactopyranoside(2S,3R,4S,5S,6R)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane4-Methylphenyl 2,3,4,6-tetra-O-benzyl-b-D-thiogalactopyranosideSCHEMBL7027519DDEYRWOAKGAYDF-RSGFCBGISA-Np-Tolyl 2,3,4,6-tetra-O-benzyl-1-thio-b-D-galactopyranosideG73734p-Methylphenyl 2,3,4,6-Tetra-O-benzyl-1-thio-beta-D-galactopyranoside(2R,3S,4S,5R,6S)-3,4,5-tribenzyloxy-2-(benzyloxymethyl)-6-(p-tolylsulfanyl)tetrahydropyran

データベース識別子

PubChem CID: 11050551
Nikkaji: J1.643.541D

物性

構造計算による物性

XLogP: 8.2
極性表面積: 71.5 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 15
重原子数: 47
形式電荷: 0
複雑度: 826

化合物ノート

読み込み中…