[(2R,3R,4S,5S,6S)-3,4-bis(benzyloxy)-6-methoxy-5-(prop-2-en-1-yloxy)oxan-2-yl]methanol

• ChemBase ID: 173244
• Molecular Formular: C24H30O6
• Molecular Mass: 414.4914
• Monoisotopic Mass: 414.20423868
• SMILES: [C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1CO)OC)OCC=C)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: C=CCO[C@@H]1[C@@H](OC)O[C@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)CO
• InChI: InChI=1S/C24H30O6/c1-3-14-27-23-22(29-17-19-12-8-5-9-13-19)21(20(15-25)30-24(23)26-2)28-16-18-10-6-4-7-11-18/h3-13,20-25H,1,14-17H2,2H3/t20-,21-,22+,23+,24+/m1/s1
• InChIKey: GBXPCZLNEKGTHT-DJCPXJLLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R,4S,5S,6S)-3,4-bis(benzyloxy)-6-methoxy-5-(prop-2-en-1-yloxy)oxan-2-yl]methanol
• IUPAC Traditional name: [(2R,3R,4S,5S,6S)-3,4-bis(benzyloxy)-6-methoxy-5-(prop-2-en-1-yloxy)oxan-2-yl]methanol
• Synonyms: Methyl 3,4-Bis-O-(phenylmethyl)-2-O-2-propenyl-α-D-mannopyranoside; Methyl 2-O-Allyl-3,4-di-O-benzyl-α-D-mannopyranoside

Database IDs

• CAS Number: 210297-56-6
• PubChem SID: 164229154
• PubChem CID: 60119435

CALCULATED PROPERTIES

• Acid pKa: 14.58272
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.8201628
• LogD (pH = 7.4): 3.8201628
• Log P: 3.8201628
• Molar Refractivity: 113.3161 cm^3
• Polarizability: 45.125492 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true