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

• ChemBase ID: 106173
• Molecular Formular: C12H22O11
• Molecular Mass: 342.29648
• Monoisotopic Mass: 342.11621152
• SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)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
• InChI: InChI=1S/C12H22O11/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/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
• InChIKey: GUBGYTABKSRVRQ-DCSYEGIMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
• IUPAC Traditional name: β-D-lactose
• Synonyms: β-D-Gal-(1→4)-β-D-Glc; β-Lactose; 4-(beta-D-Galactosido)-D-glucose; 4-O-beta-Galactopyranosyl-D-glucose; Lactin; Lactobiose; beta-D-Lactose; Milk sugar; Saccharum lactin; D-LACTOSE ANHYDROUS, USP/NF GRADE; 4-O-β-D-galactopyranosyl-D-glucose; Lactose

Database IDs

• CAS Number: 63-42-3; 5965-66-2
• EC Number: 200-559-2; 227-751-9
• MDL Number: MFCD00064521
• PubChem SID: 24896505; 162087669; 24896352
• PubChem CID: 6134
• CHEBI ID: 36218
• CHEMBL: 417016
• Chemspider ID: 5904
• Unique Ingredient Identifier: J2B2A4N98G
• Wikipedia Title: Lactose

CALCULATED PROPERTIES

• Acid pKa: 11.2543745
• H Acceptors: 11
• H Donor: 8
• LogD (pH = 5.5): -4.703376
• LogD (pH = 7.4): -4.7034354
• Log P: -4.703375
• Molar Refractivity: 68.3367 cm^3
• Polarizability: 28.969793 Å^3
• Polar Surface Area: 189.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 21.6 g/100 mL in water
• Apperance: white solid
• Melting Point: 202.8 °C
• Boiling Point: 668.9 °C
• Flash Point: 357.8 °C
• Density: 1.525 g/cm^3
• Std enthalpy of combustion: 5652 kJ/mol, 1351 kcal/mol, 16.5 kJ/g, 3.94 kcal/g

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OD9625000
• German water hazard class: 3
• EU Index: not listed
• NFPA704:
  

  0

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~30% α-anomer basis; ≤30% α-anomer basis; ≥99% total lactose basis
• Grade: NF; USP
• Suitability: suitable for component for culture media
• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - L3750

包装
1 kg in poly bottle
100, 500 g in poly bottle