(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

• ChemBase ID: 104007
• Molecular Formular: C7H14O6
• Molecular Mass: 194.18246
• Monoisotopic Mass: 194.07903817
• SMILES: O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC)CO
• Canonical SMILES: CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O
• InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
• InChIKey: HOVAGTYPODGVJG-VEIUFWFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• IUPAC Traditional name: methyl α-D-mannoside
• Synonyms: 1-O-Methyl-α-D-mannopyranoside; Methyl α-D-Manno-pyranoside; NSC 1225; α-D-Methyl Mannoside; α-Methyl-D-(-)-mannoside; Methyl α-D-Mannopyranoside; α-Methyl D-mannoside; α-Methyl-D-mannoside; METHYL α-D-MANNOPYRANOSIDE; Methyl α-D-mannopyranoside; Methyl a-D-Mannopyranoside; α-甲基D-甘露糖苷; 甲基α-D-吡喃甘露糖苷

Database IDs

• CAS Number: 617-04-9
• EC Number: 210-502-3
• MDL Number: MFCD00063262
• Beilstein Number: 81566
• PubChem SID: 162091038; 24897124; 24885388
• PubChem CID: 101798

CALCULATED PROPERTIES

• Acid pKa: 12.211393
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -2.2894127
• LogD (pH = 7.4): -2.2894194
• Log P: -2.2894127
• Molar Refractivity: 40.6746 cm^3
• Polarizability: 17.016506 Å^3
• Polar Surface Area: 99.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless; Methanol; Water
• Apperance: White Solid
• Melting Point: 184-187°C; 187-195 °C; 193-196 °C(lit.); 193-196°C
• Optical Rotation: [α]20/D +79±2°, c = 10% in H2O

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~99%; ≥99% (GC); ≥99.0%; ≥99.0% (sum of enantiomers, HPLC); 95+%
• Grade: for microbiology
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C7H14O6

DETAILS

MP Biomedicals - 02153937

(α-Methyl-D-mannoside ) Crystalline Purity: ~99%

Sigma Aldrich - M6882

包装
25, 100, 500 g in poly bottle

Sigma Aldrich - 67770

Other Notes
Unwanted binding of avidin to endogenous lectins1