[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(prop-2-en-1-yloxy)oxan-2-yl]methyl acetate

• ChemBase ID: 220808
• Molecular Formular: C17H24O10
• Molecular Mass: 388.36646
• Monoisotopic Mass: 388.13694697
• SMILES: [C@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OC(=O)C)COC(=O)C)OCC=C)OC(=O)C)OC(=O)C
• Canonical SMILES: C=CCO[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C17H24O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(24-10(3)19)13(27-17)8-23-9(2)18/h6,13-17H,1,7-8H2,2-5H3/t13-,14+,15+,16-,17-/m1/s1
• InChIKey: CRUHDGOVWKFJBM-DRRXZNNHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(prop-2-en-1-yloxy)oxan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(prop-2-en-1-yloxy)oxan-2-yl]methyl acetate

Database IDs

• PubChem SID: 164276718
• PubChem CID: 7091156

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.20633875
• LogD (pH = 7.4): 0.20633875
• Log P: 0.20633875
• Molar Refractivity: 86.4433 cm^3
• Polarizability: 35.80612 Å^3
• Polar Surface Area: 123.66 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds