(4'R)-4'-(hydroxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-6'-ol

• ChemBase ID: 165209
• Molecular Formular: C11H18O5
• Molecular Mass: 230.25762
• Monoisotopic Mass: 230.11542368
• SMILES: C12C(C(O[C@@H]1CO)O)OC1(O2)CCCCC1
• Canonical SMILES: OC[C@H]1OC(C2C1OC1(O2)CCCCC1)O
• InChI: InChI=1S/C11H18O5/c12-6-7-8-9(10(13)14-7)16-11(15-8)4-2-1-3-5-11/h7-10,12-13H,1-6H2/t7-,8?,9?,10?/m1/s1
• InChIKey: AZDAIDRGKDVDCA-QVNBGCGHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4'R)-4'-(hydroxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-6'-ol
• IUPAC Traditional name: (4'R)-4'-(hydroxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-6'-ol
• Synonyms: 2,3-O-Cyclohexylidene-β-D-ribofuranose

Database IDs

• CAS Number: 177414-91-4
• PubChem SID: 162259342
• PubChem CID: 71315082

CALCULATED PROPERTIES

• Acid pKa: 11.337027
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6548087
• LogD (pH = 7.4): 0.6547592
• Log P: 0.65480936
• Molar Refractivity: 53.9043 cm^3
• Polarizability: 22.237986 Å^3
• Polar Surface Area: 68.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil

DETAILS

Toronto Research Chemicals - C988035

Used in the preparation of D-xylofuranose derivatives.