(3aS,4R,6S,7R,7aS)-6,7-dimethoxy-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran

• ChemBase ID: 173521
• Molecular Formular: C11H20O5
• Molecular Mass: 232.2735
• Monoisotopic Mass: 232.13107374
• SMILES: O1[C@@H]([C@H]([C@@H]2[C@H]([C@@H]1C)OC(O2)(C)C)OC)OC
• Canonical SMILES: CO[C@@H]1[C@@H](OC)O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)C
• InChI: InChI=1S/C11H20O5/c1-6-7-8(16-11(2,3)15-7)9(12-4)10(13-5)14-6/h6-10H,1-5H3/t6-,7+,8+,9-,10+/m1/s1
• InChIKey: HLLZDTWLBNXZFP-KBDSZGMXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3aS,4R,6S,7R,7aS)-6,7-dimethoxy-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran
• IUPAC Traditional name: (3aS,4R,6S,7R,7aS)-6,7-dimethoxy-2,2,4-trimethyl-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
• Synonyms: Methyl 6-Deoxy-2-O-methyl-3,4-O-(1-methylethylidene)-α-D-galactopyranoside; Methyl 6-Deoxy-2-O-methyl-3,4-O-isopropylidene-α-D-galactopyranoside

Database IDs

• CAS Number: 74135-23-2
• PubChem SID: 164229431
• PubChem CID: 71750281

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1030483
• LogD (pH = 7.4): 1.1030483
• Log P: 1.1030483
• Molar Refractivity: 56.0891 cm^3
• Polarizability: 23.081184 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Brown liquid