(3'aR,5'R,6'S,6'aR)-6'-(benzyloxy)-5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]

• ChemBase ID: 192795
• Molecular Formular: C25H34O6
• Molecular Mass: 430.53386
• Monoisotopic Mass: 430.23553881
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OCc1ccccc1)C1OC3(OC1)CCCCC3)OC1(O2)CCCCC1
• Canonical SMILES: c1ccc(cc1)CO[C@H]1[C@H](O[C@H]2[C@@H]1OC1(O2)CCCCC1)C1COC2(O1)CCCCC2
• InChI: InChI=1S/C25H34O6/c1-4-10-18(11-5-1)16-26-21-20(19-17-27-24(29-19)12-6-2-7-13-24)28-23-22(21)30-25(31-23)14-8-3-9-15-25/h1,4-5,10-11,19-23H,2-3,6-9,12-17H2/t19?,20-,21+,22-,23-/m1/s1
• InChIKey: OAEPJJXLQXXGMV-KLARFABHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3'aR,5'R,6'S,6'aR)-6'-(benzyloxy)-5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
• IUPAC Traditional name: (3'aR,5'R,6'S,6'aR)-6'-(benzyloxy)-5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]

Database IDs

• PubChem SID: 164248705
• PubChem CID: 52993758

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.3490877
• LogD (pH = 7.4): 5.3490877
• Log P: 5.3490877
• Molar Refractivity: 113.174 cm^3
• Polarizability: 45.84629 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds