(2R)-5-(benzoyloxy)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate

• ChemBase ID: 178895
• Molecular Formular: C26H22O7
• Molecular Mass: 446.44868
• Monoisotopic Mass: 446.13655304
• SMILES: C1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC(C1)OC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)OC1CC(O[C@@H]1COC(=O)c1ccccc1)OC(=O)c1ccccc1
• InChI: InChI=1S/C26H22O7/c27-24(18-10-4-1-5-11-18)30-17-22-21(32-25(28)19-12-6-2-7-13-19)16-23(31-22)33-26(29)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2/t21?,22-,23?/m1/s1
• InChIKey: BEODWWVAXXZRMB-OOMBGRCJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-5-(benzoyloxy)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate
• IUPAC Traditional name: (2R)-5-(benzoyloxy)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate
• Synonyms: 2-Deoxy-ribose 1,3,5-Tribenzoate; 1,3,5-Tri-O-benzoyl-2-deoxyribofuranose

Database IDs

• CAS Number: 145416-96-2
• PubChem SID: 164234805
• PubChem CID: 46783143

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.0843334
• LogD (pH = 7.4): 6.0843334
• Log P: 6.0843334
• Molar Refractivity: 117.9162 cm^3
• Polarizability: 46.44133 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid