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

• ChemBase编号: 165209
• 分子式: C11H18O5
• 平均质量: 230.25762
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (4'R)-4'-(hydroxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-6'-ol
• IUPAC传统名: (4'R)-4'-(hydroxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-6'-ol
• 别名: 2,3-O-Cyclohexylidene-β-D-ribofuranose

登记号

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

理论计算性质

• Acid pKa: 11.337027
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.6548087
• LogD (pH = 7.4): 0.6547592
• Log P: 0.65480936
• 摩尔折射率: 53.9043 cm^3
• 极化性: 22.237986 Å^3
• 极化表面积: 68.15 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate; Methanol
• 外观: Pale Yellow Oil

详细说明

Toronto Research Chemicals - C988035

Used in the preparation of D-xylofuranose derivatives.