4-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 187598
• Molecular Formular: C13H22O6
• Molecular Mass: 274.31018
• Monoisotopic Mass: 274.14163842
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OC)C1OC(OC1)(C)C)OC(O2)(C)C
• Canonical SMILES: CO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C13H22O6/c1-12(2)15-6-7(17-12)8-9(14-5)10-11(16-8)19-13(3,4)18-10/h7-11H,6H2,1-5H3/t7?,8-,9+,10-,11-/m1/s1
• InChIKey: GPNUVPVTXHBPJI-OXKBGPBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

Database IDs

• PubChem SID: 164243508
• PubChem CID: 12874879

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1154366
• LogD (pH = 7.4): 1.1154366
• Log P: 1.1154366
• Molar Refractivity: 65.0886 cm^3
• Polarizability: 26.76651 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds