(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol hydrate

• ChemBase编号: 155570
• 分子式: C12H24O12
• 平均质量: 360.31176
• 单一同位素质量: 360.12677621
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]1[C@H]([C@@H](C(O1)(CO)O)O)O)O)O)O)O.O
• Canonical SMILES: OC[C@H]1O[C@H](OC[C@H]2OC([C@H]([C@@H]2O)O)(O)CO)[C@@H]([C@H]([C@@H]1O)O)O.O
• InChI: InChI=1S/C12H22O11.H2O/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5;/h4-11,13-20H,1-3H2;1H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?;/m1./s1
• InChIKey: XZKUCJJNNDINKX-HGLHLWFZSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol hydrate
• IUPAC传统名: palatinose hydrate
• 别名: 6-O-α-D-Glucopyranosyl-D-fructose; Isomaltulose hydrate; Palatinose hydrate

登记号

• CAS号: 343336-76-5
• EC号: 237-282-1
• MDL号: MFCD11100373
• Beilstein号: 93820
• PubChem SID: 162249708; 24898263
• PubChem CID: 52994241

理论计算性质

• Acid pKa: 10.279238
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -4.528842
• LogD (pH = 7.4): -4.5294075
• Log P: -4.528835
• 摩尔折射率: 68.7741 cm^3
• 极化性: 28.969793 Å^3
• 极化表面积: 189.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 甜度: 0.5-0.6 × sucrose

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99%
• 成盐信息: H2O
• Empirical Formula (Hill Notation): C12H22O11 · xH2O
• 分类: Genuine Natural Compounds

详细说明

Sigma Aldrich - P2007

Biochem/physiol Actions
Palatinose is a disaccharide having an α(1→6) linkage between D-glucose and D-fructose and is similar to sucrose in its physicochemical properties. It is produced from sucrose in some bacteria by the action of sucrose isomerase. In mammalian gut, palatinose is hydrolyzed and absorbed much more slowly than sucrose.
包装
1, 5, 25 g in poly bottle
10 mg in autosmp vl