(4aR,6S,7S,8S,8aR)-8-(benzyloxy)-6-methoxy-2-phenyl-7-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine

• ChemBase ID: 173241
• Molecular Formular: C24H28O6
• Molecular Mass: 412.47552
• Monoisotopic Mass: 412.18858862
• SMILES: [C@H]1([C@@H]([C@H](O[C@H]2[C@H]1OC(OC2)c1ccccc1)OC)OCC=C)OCc1ccccc1
• Canonical SMILES: C=CCO[C@@H]1[C@@H](OC)O[C@H]2[C@H]([C@@H]1OCc1ccccc1)OC(OC2)c1ccccc1
• InChI: InChI=1S/C24H28O6/c1-3-14-26-22-21(27-15-17-10-6-4-7-11-17)20-19(29-24(22)25-2)16-28-23(30-20)18-12-8-5-9-13-18/h3-13,19-24H,1,14-16H2,2H3/t19-,20-,21+,22+,23?,24+/m1/s1
• InChIKey: YFGKDDPSSKUWEG-NBOVQHNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aR,6S,7S,8S,8aR)-8-(benzyloxy)-6-methoxy-2-phenyl-7-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
• IUPAC Traditional name: (4aR,6S,7S,8S,8aR)-8-(benzyloxy)-6-methoxy-2-phenyl-7-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
• Synonyms: Methyl 3-O-(Phenylmethyl)-4,6-O-(phenylmethylene)-2-O-2-propenyl-α-D-mannopyranoside; Methyl 2-O-Allyl-3-O-benzyl-4,6-O-benzylidene-α-D-mannopyranoside

Database IDs

• CAS Number: 210297-54-4
• PubChem SID: 164229151
• PubChem CID: 71750174

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.6176424
• LogD (pH = 7.4): 4.6176424
• Log P: 4.6176424
• Molar Refractivity: 110.8359 cm^3
• Polarizability: 44.467384 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true