基本情報
- CAS
1883-12-1- 標準SMILES
O=C1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O- InChIKey
CUKZGOBWGGOLIQ-QRDRGOPVSA-N- 分子式
- C12H20O11
- 平均分子量
- 340.28 g/mol
- 単同位体質量
- 340.10056145
概要
3-ketosucrose is a glycosyl glycoside which is an intermediate in the breakdown of sucrose. The structure is that of sucrose in which the glucosyl 3-hydroxy group has been reduced to a keto group. It is a glycosyl glycoside and a keto-disaccharide.
名称と識別子
- 優先名称
- 3-Ketosucrose
- IUPAC
- (2R,3S,5R,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-one
- 英語名
- 3-ketosucrose
- 分子式
- C12H20O11
- 分子量
- 340.2806
名称と別名
3-Ketosucrose3-Oxosucrose3'-ketosucrose1883-12-1beta-D-fructofuranosyl alpha-D-ribo-hexopyranosid-3-uloseCHEBI:17429DTXSID801721783-Dehydro-alpha-D-glucosyl-beta-D-fructofuranosideRefChem:94522GlyTouCan:G79938IZDTXCID4094669G79938IZ
名称をさらに表示
3-ketosucrose CAS NO. 1883-12-1α-D-ribo-Hexopyranosid-3-ulose, β-D-fructofuranosyl
3-dehydro-alpha-D-glucosyl beta-D-fructofuranosidealpha-D-ribo-Hexopyranosid-3-ulose, beta-D-fructofuranosyl3'-DehydrosucroseC05731(2R,3S,5R,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-oneSCHEMBL308729573'-dehydro-alpha-D-glucosyl-beta-D-fructofuranosideQ27102396
データベース識別子
- CAS
1883-12-1- PubChem CID
- 440773
- DTXSID
DTXSID80172178- ChEBI
CHEBI:17429- Nikkaji
- J680.762C
物性
構造計算による物性
- XLogP
- -3.3
- 極性表面積
- 186 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 11
- 回転可能結合数
- 5
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 431
物理化学的性質
- 沸点
- 747 · 747.0±60.0 °C(Predicted)
- 比重(密度)
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 11.06 · 11.06±0.70(Predicted)
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補足説明
定義ChEBI: A glycosyl glycoside which is an intermediate in the breakdown of sucrose. The structure is that of sucrose in which the glucosyl 3-hydroxy group has been reduced to a keto group.
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