(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (HCID 13325756)

基本情報

標準SMILES: COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1
InChIKey: RPHXBVOPPUTUES-XDWAVFMPSA-N
分子式: C21H26O11
平均分子量: 454.4 g/mol
単同位体質量: 454.14751164

名称と識別子

優先名称: (2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate

名称と別名

2872-65-3(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosideMFCD067971234-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-|A-D-galactopyranosidebeta-D-Galactopyranoside, 4-methoxyphenyl, 2,3,4,6-tetraacetate[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate[(2R,3S,4S,5R,6S)-3,4,5-TRIS(ACETYLOXY)-6-(4-METHOXYPHENOXY)OXAN-2-YL]METHYL ACETATEorb2941839SCHEMBL7945964RPHXBVOPPUTUES-XDWAVFMPSA-NTSW-00192

名称をさらに表示

AKOS003631749MM07045AS-70964SY067287M1477D82686F9534704-Methoxyphenyl -D-galactopyranoside 2,3,4,6-tetraacetate

データベース識別子

PubChem CID: 13325756
Nikkaji: J1.620.862K

物性

構造計算による物性

XLogP: 2.4
極性表面積: 133 Å²
水素結合供与体数: 0
水素結合受容体数: 11
回転可能結合数: 12
重原子数: 32
形式電荷: 0
複雑度: 671

化合物ノート

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