(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol

• ChemBase ID: 112094
• Molecular Formular: C10H20O6
• Molecular Mass: 236.2622
• Monoisotopic Mass: 236.12598836
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC)OC)OC)OC
• Canonical SMILES: COC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1OC)OC)OC
• InChI: InChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m1/s1
• InChIKey: AQWPITGEZPPXTJ-ZKZCYXTQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
• IUPAC Traditional name: (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
• Synonyms: 2,3,4,6-TETRAMETHYL-D-GLUCOSE

Database IDs

• CAS Number: 7506-68-5
• PubChem SID: 162098133
• PubChem CID: 12903171

CALCULATED PROPERTIES

• Molar Refractivity: 54.9282 cm^3
• Polarizability: 22.64645 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 11.3446045
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.3600338
• LogD (pH = 7.4): -0.36008248
• Log P: -0.3600332

PROPERTIES

Physical Property

• Melting Point: 75°C

DETAILS

MP Biomedicals - 05222531

MP Biomedicals Rare Chemical collection