(3aR,4R,6R,6aR)-4-[(benzyloxy)methyl]-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxole

• ChemBase ID: 173834
• Molecular Formular: C16H22O5
• Molecular Mass: 294.34288
• Monoisotopic Mass: 294.1467238
• SMILES: [C@H]1([C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)COCc1ccccc1
• Canonical SMILES: CO[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)COCc1ccccc1
• InChI: InChI=1S/C16H22O5/c1-16(2)20-13-12(19-15(17-3)14(13)21-16)10-18-9-11-7-5-4-6-8-11/h4-8,12-15H,9-10H2,1-3H3/t12-,13-,14-,15-/m1/s1
• InChIKey: MWGDFZJIIGYPKY-KBUPBQIOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3aR,4R,6R,6aR)-4-[(benzyloxy)methyl]-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxole
• IUPAC Traditional name: (3aR,4R,6R,6aR)-4-[(benzyloxy)methyl]-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxole
• Synonyms: Methyl 2,3-O-(1-Methylethylidene)-5-O-(phenylmethyl)-β-D-ribofuranoside; Methyl 5-O-Benzyl-2,3-O-isopropylidene-β-D-ribofuranoside; Methyl 2,3-O-Isopropylidene-5-O-benzyl-β-D-ribofuranoside

Database IDs

• CAS Number: 33019-63-5
• PubChem SID: 164229744
• PubChem CID: 14211884

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4109464
• LogD (pH = 7.4): 2.4109464
• Log P: 2.4109464
• Molar Refractivity: 76.2829 cm^3
• Polarizability: 30.76914 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Colourless Liquid
• Boiling Point: 147-149°C/0.3mm