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

• ChemBase ID: 173840
• Molecular Formular: C30H34O6
• Molecular Mass: 490.58736
• Monoisotopic Mass: 490.23553881
• SMILES: O1[C@@H]([C@H]([C@@H]2[C@H]([C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(O2)(C)C)OC)OC
• Canonical SMILES: CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2[C@@H]([C@@H]1OC)OC(O2)(C)C
• InChI: InChI=1S/C30H34O6/c1-29(2)35-25-24(34-28(32-4)27(31-3)26(25)36-29)20-33-30(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-28H,20H2,1-4H3/t24-,25+,26+,27-,28+/m1/s1
• InChIKey: VFTABCBBMAWCPB-JYIVOWJTSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 69182-49-6
• PubChem SID: 164229750
• PubChem CID: 71750397

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.8562202
• LogD (pH = 7.4): 5.8562202
• Log P: 5.8562202
• Molar Refractivity: 137.4342 cm^3
• Polarizability: 54.291775 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

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