基本情報
- CAS
546-35-0- 標準SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
ZJTKROCMWYBRPX-DFMCVVGJSA-N- 分子式
- C24H42O21
- 平均分子量
- 666.6 g/mol
- 単同位体質量
- 666.22185834
概要
3F-alpha-D-Galactosylraffinose is an oligosaccharide.
名称と識別子
- 優先名称
- O-alpha-D-Galactopyranosyl-(1->3)-beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
名称と別名
Isolychnose546-35-0DTXSID30331475(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl)oxy-tetrahydropyran-2-yl)methoxy)tetrahydropyran-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triolGlyTouCan:G24138EZRefChem:1048468DTXCID80282569G24138EZO-alpha-D-Galactopyranosyl-(1->3)-beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside3F-alpha-D-GalactosylraffinoseC03989
名称をさらに表示
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolAC1L98UACHEBI:1683SCHEMBL29684392Q27105491alpha-D-Gal-(1->6)-alpha-D-Glc-(1->2)-beta-D-Fru-(1↔3)-alpha-D-Galalpha-D-Galactopyranosyl-(1->3)-beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
物性
構造計算による物性
- XLogP
- -8
- 極性表面積
- 348 Ų
- 水素結合供与体数
- 14
- 水素結合受容体数
- 21
- 回転可能結合数
- 11
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 933
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