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

• ChemBase编号: 102584
• 分子式: C12H24O12
• 平均质量: 360.31176
• 单一同位素质量: 360.12677621
• SMILES: O([C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO.O
• Canonical SMILES: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O.O
• InChI: InChI=1S/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-;/m1./s1
• InChIKey: WSVLPVUVIUVCRA-QIJXJVNFSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol hydrate
• IUPAC传统名: (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol hydrate
• 别名: Malt Sugar; D-(+)-MALTOSE MONOHYDRATE; 4-O-α-D-Glucopyranosyl-D-glucose

登记号

• CAS号: 6363-53-7
• EC号: 200-716-5
• PubChem SID: 162089953
• PubChem CID: 2723821

理论计算性质

• Acid pKa: 11.2543745
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -4.703376
• LogD (pH = 7.4): -4.7034354
• Log P: -4.703375
• 摩尔折射率: 68.3367 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: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 120°C
• 密度: 1.54 g/ml @ 17°C

安全信息

• 保存条件: Room Temperature (15-30°C)

产品相关信息

• 纯度: 95-98%; 99%

详细说明

MP Biomedicals - 02190237

Monohydrate
Crystalline
Purity: 99%
Mixed Anomers

MP Biomedicals - 02102241

Monohydrate
Crystalline
Purity: 95-98%

MP Biomedicals - 02194701

Cell Culture Reagent
Monohydrate
Crystalline
Purity: 99%
Mixed Anomers