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

• ChemBase ID: 173519
• Molecular Formular: C10H18O5
• Molecular Mass: 218.24692
• Monoisotopic Mass: 218.11542368
• SMILES: O1[C@@H]([C@H]([C@@H]2[C@H]([C@@H]1C)OC(O2)(C)C)O)OC
• Canonical SMILES: CO[C@H]1O[C@@H](C)[C@H]2[C@@H]([C@@H]1O)OC(O2)(C)C
• InChI: InChI=1S/C10H18O5/c1-5-7-8(15-10(2,3)14-7)6(11)9(12-4)13-5/h5-9,11H,1-4H3/t5-,6-,7+,8-,9+/m1/s1
• InChIKey: UONDNTMXANWPHZ-ZEBDFXRSSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 71772-35-5
• PubChem SID: 164229429
• PubChem CID: 21634696

CALCULATED PROPERTIES

• Acid pKa: 12.358558
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4599218
• LogD (pH = 7.4): 0.4599171
• Log P: 0.45992187
• Molar Refractivity: 51.3379 cm^3
• Polarizability: 21.18983 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Oil