(3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

• ChemBase ID: 112091
• Molecular Formular: C6H12O6
• Molecular Mass: 180.15588
• Monoisotopic Mass: 180.0633881
• SMILES: OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O
• Canonical SMILES: OC[C@@H]1OC(O)[C@H]([C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1
• InChIKey: WQZGKKKJIJFFOK-ZZWDRFIYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• IUPAC Traditional name: L-glucopyranose
• Synonyms: L-GLUCOSE; (3S,4R,5R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol; L-(-)-Glucose, anhydrous; L-(-)-无水葡萄糖

Database IDs

• CAS Number: 921-60-8
• EC Number: 213-068-3
• MDL Number: MFCD00148913
• Beilstein Number: 1724626
• PubChem SID: 162097488
• PubChem CID: 2724488
• CHEBI ID: 37627
• Chemspider ID: 2006622
• Wikipedia Title: L-Glucose

CALCULATED PROPERTIES

• Acid pKa: 11.298101
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -2.93254
• LogD (pH = 7.4): -2.932594
• Log P: -2.9325392
• Molar Refractivity: 35.9234 cm^3
• Polarizability: 15.155883 Å^3
• Polar Surface Area: 110.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 91 g/100 ml (25 °C) in water
• Melting Point: 148-157°C
• Density: 1.54 g/cm^3
• Optical Rotation: -53 (c=10 in water, 24h)

Safety Information

• RTECS: LZ6610000
• TSCA Listed: 否
• EU Index: not listed

Product Information

• Purity: 98%
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 05222513

MP Biomedicals Rare Chemical collection