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

• ChemBase编号: 130805
• 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)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.O
• Canonical SMILES: OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O.O
• InChI: InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
• InChIKey: HBDJFVFTHLOSDW-XBLONOLSSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
• IUPAC传统名: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
• 别名: 单水乳糖; 4-O-β-D-吡喃半乳糖基-D-葡萄糖; 乳糖; D-乳糖 一水合物; 4-O-β-D-Galactopyranosyl-D-glucose; Milk sugar; Lactosum monohydricum; β-D-Gal-(1→4)-D-Glc; D-Lactose monohydrate

登记号

• CAS号: 64044-51-5
• EC号: 200-559-2
• MDL号: MFCD00166994
• Beilstein号: 3768231
• PubChem SID: 162225083
• PubChem CID: 23623845

理论计算性质

• Acid pKa: 11.629618
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -5.3391967
• LogD (pH = 7.4): -5.339222
• Log P: -5.339196
• 摩尔折射率: 69.7589 cm^3
• 极化性: 29.065626 Å^3
• 极化表面积: 197.37 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble0.1 g/mL, clear, colorless (warm); H2O: soluble0.5 M at 20 °C, clear, colorless
• 熔点: ~215 °C (dec.); 219 °C (dec.)
• 比旋光度: [α]20/D +52.5±1°, 22 hr, c = 10% in H2O; [α]20/D +52±2°, 22 hr, c = 10% in H2O; [α]20/D +53±1°, 22 hr, c = 10% in H2O; [α]22/D +52.4°, c = 4.5 in H2O
• 紫外吸收波长: λ: 260 nm Amax: 0.02; λ: 280 nm Amax: 0.02
• pH值: 3.5-6.0 (25 °C, 0.5 M in H2O)

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: ≥98.0% (HPLC); ≥99.0% (HPLC); ≥99.5% (HPLC)
• 级别: ACS reagent; Ph Eur; SAJ first grade; SAJ special grade
• 燃烧残渣: ≤0.03%; ≤0.03% (as SO4); ≤0.05% (as SO4)
• 杂质: ≤0.005% Insoluble matter; ≤0.005% insolubles; 4.0-6.0% Water (H2O); 4.0-6.0-6.0% water; Dextrose, passes test; dextrose, passes test; insoluble matter, passes filter test; Sucrose, passes test; sucrose, passes test
• 痕量阳离子: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤30 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; heavy metals (as Pb): ≤5 ppm; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤10 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 0.5 M in H2O
• 药典: testing & handling conforms to Pharmacopeia
• 产品线: BioUltra
• Pharmacopeia Traceability: traceable to PhEur L0100000; traceable to USP 1356701
• Empirical Formula (Hill Notation): C12H22O11 · H2O

详细说明

Sigma Aldrich - 61345

Other Notes
可能实行销售限制

Sigma Aldrich - 61339

Other Notes
Component of the liquid stationary phase in the GLC separation of nitroxylene and xylenol isomers1
Sales restrictions may apply
Application
D-Lactose is a disaccharide of D-glucose and D-galactose units found as a major sugar in milk. D-Lactose is used for the culture of lactic acid metabolizing bacteria, lactic acid bacteria. D-Lactose is used to identify and characterized galectins.

Sigma Aldrich - 61340

Other Notes
Sales restrictions may apply

Sigma Aldrich - L254

包装
2 kg in poly bottle
25 g in poly bottle