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

• ChemBase编号: 186703
• 分子式: C19H30O6
• 平均质量: 354.4379
• 单一同位素质量: 354.20423868
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OC)C1OC3(OC1)CCCCC3)OC1(O2)CCCCC1
• Canonical SMILES: CO[C@H]1[C@H](O[C@H]2[C@@H]1OC1(O2)CCCCC1)C1COC2(O1)CCCCC2
• InChI: InChI=1S/C19H30O6/c1-20-15-14(13-12-21-18(23-13)8-4-2-5-9-18)22-17-16(15)24-19(25-17)10-6-3-7-11-19/h13-17H,2-12H2,1H3/t13?,14-,15+,16-,17-/m1/s1
• InChIKey: ACCMQFBKWULOQG-SLUKUZTOSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164242613
• PubChem CID: 2724785

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.6246145
• LogD (pH = 7.4): 3.6246145
• Log P: 3.6246145
• 摩尔折射率: 88.5614 cm^3
• 极化性: 36.306843 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds