2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol

• ChemBase ID: 104244
• Molecular Formular: C6H10O5
• Molecular Mass: 162.1406
• Monoisotopic Mass: 162.05282342
• SMILES: OCC1OC=C(O)C(O)C1O
• Canonical SMILES: OCC1OC=C(C(C1O)O)O
• InChI: InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2
• InChIKey: CXKKSSKKIOZUNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
• IUPAC Traditional name: 2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
• Synonyms: Lichenin; LICHENAN

Database IDs

• CAS Number: 1402-10-4
• EC Number: 215-755-3
• PubChem SID: 162091025
• PubChem CID: 4472904

CALCULATED PROPERTIES

• Acid pKa: 6.22669
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.3828454
• LogD (pH = 7.4): -3.5077925
• Log P: -2.308187
• Molar Refractivity: 35.6714 cm^3
• Polarizability: 14.182393 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02155231

(Lichenin) From Cetraria islandica A glucose polysaccharide.