基本情報
- CAS
80312-32-9- 標準SMILES
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
GNVIYGFSOIHFHK-NIKVEEOSSA-N- 分子式
- C12H23NO9
- 平均分子量
- 325.31 g/mol
- 単同位体質量
- 325.13728131
概要
4-O-alpha-D-glucopyranosylmoranoline is a monosaccharide derivative that is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol having an alpha-D-glucosyl residue attached at position 4. It has a role as a metabolite. It is an alpha-D-glucoside and a monosaccharide derivative. It is functionally related to an alpha-D-glucose and a duvoglustat.
名称と識別子
- 優先名称
- (2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
名称と別名
80312-32-9DTXSID701135748(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranosideRefChem:934712DTXCID4015673704-O-a-D-GlucopyranosylmoranolineGlucopyranosylmoranoline(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolalpha-D-glucopyranosyl-(1->4)-1-deoxynojirimycin(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl alpha-D-glucopyranosideCHEBI:707364-O-?-D-Glucopyranosylmoranoline
名称をさらに表示
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolQ27139052(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl I+/--D-glucopyranoside(2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)piperidin-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
データベース識別子
- CAS
80312-32-9- PubChem CID
- 11324809
物性
構造計算による物性
- XLogP
- -4.5
- 極性表面積
- 172 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 10
- 回転可能結合数
- 4
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 359
実験および物理化学的性質
Physical DescriptionSolid
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化合物ノート
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