4-[(4R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 161509
• Molecular Formular: C19H26O6
• Molecular Mass: 350.40614
• Monoisotopic Mass: 350.17293855
• SMILES: [C@H]1(C2[C@@H]([C@H](O1)OCc1ccccc1)OC(O2)(C)C)C1COC(O1)(C)C
• Canonical SMILES: CC1(C)O[C@H]2C(O1)[C@H](O[C@@H]2OCc1ccccc1)C1COC(O1)(C)C
• InChI: InChI=1S/C19H26O6/c1-18(2)21-11-13(23-18)14-15-16(25-19(3,4)24-15)17(22-14)20-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3/t13?,14-,15?,16-,17+/m1/s1
• InChIKey: FDOXFJBHCHWEOL-AEFXTWNNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4-[(4R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,2-dimethyl-1,3-dioxolane
• Synonyms: Phenylmethyl 2,3:5,6-bis-O-(1-methylethylidene)-α-D-mannofuranoside; Benzyl 2,3:5,6-Di-O-isopropylidene-α-D-mannofuranoside

Database IDs

• CAS Number: 20689-02-5
• PubChem SID: 162255644
• PubChem CID: 45038273

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.8399096
• LogD (pH = 7.4): 2.8399096
• Log P: 2.8399096
• Molar Refractivity: 89.7012 cm^3
• Polarizability: 36.274242 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Needles
• Melting Point: 54-55°C