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

• ChemBase ID: 190276
• Molecular Formular: C26H36O7
• Molecular Mass: 460.55984
• Monoisotopic Mass: 460.24610349
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OCc1ccc(cc1)OC)C1OC3(OC1)CCCCC3)OC1(O2)CCCCC1
• Canonical SMILES: COc1ccc(cc1)CO[C@@H]1[C@H]2OC3(O[C@H]2O[C@@H]1C1COC2(O1)CCCCC2)CCCCC3
• InChI: InChI=1S/C26H36O7/c1-27-19-10-8-18(9-11-19)16-28-22-21(20-17-29-25(31-20)12-4-2-5-13-25)30-24-23(22)32-26(33-24)14-6-3-7-15-26/h8-11,20-24H,2-7,12-17H2,1H3/t20?,21-,22+,23-,24-/m1/s1
• InChIKey: HPCBVOSHAUBAEC-VIUFCWKLSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246186
• PubChem CID: 16397483

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 5.1914163
• LogD (pH = 7.4): 5.1914163
• Log P: 5.1914163
• Molar Refractivity: 119.6372 cm^3
• Polarizability: 48.38125 Å^3
• Polar Surface Area: 64.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds