(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 ID: 130805
• Molecular Formular: C12H24O12
• Molecular Mass: 360.31176
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (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 Traditional name: (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
• Synonyms: 4-O-β-D-Galactopyranosyl-D-glucose; Milk sugar; Lactosum monohydricum; β-D-Gal-(1→4)-D-Glc; D-Lactose monohydrate; 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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 11.629618
• H Acceptors: 11
• H Donor: 8
• LogD (pH = 5.5): -5.3391967
• LogD (pH = 7.4): -5.339222
• Log P: -5.339196
• Molar Refractivity: 69.7589 cm^3
• Polarizability: 29.065626 Å^3
• Polar Surface Area: 197.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble0.1 g/mL, clear, colorless (warm); H2O: soluble0.5 M at 20 °C, clear, colorless
• Melting Point: ~215 °C (dec.); 219 °C (dec.)
• Optical Rotation: [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
• Absorption Wavelength: λ: 260 nm Amax: 0.02; λ: 280 nm Amax: 0.02
• pH: 3.5-6.0 (25 °C, 0.5 M in H2O)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); ≥99.0% (HPLC); ≥99.5% (HPLC)
• Grade: ACS reagent; Ph Eur; SAJ first grade; SAJ special grade
• Ignition Residue: ≤0.03%; ≤0.03% (as SO4); ≤0.05% (as SO4)
• Impurities: ≤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
• Cation Traces: 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
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 0.5 M in H2O
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioUltra
• Pharmacopeia Traceability: traceable to PhEur L0100000; traceable to USP 1356701
• Empirical Formula (Hill Notation): C12H22O11 · H2O

DETAILS

Sigma Aldrich - 61345

Other Notes
Sales restrictions may apply

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

Packaging
2 kg in poly bottle
25 g in poly bottle