(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

• ChemBase编号: 287282
• 分子式: C11H18O5
• 平均质量: 230.25762
• 单一同位素质量: 230.11542368
• SMILES: CC1(O[C@H]2[C@@H](CO1)O[C@H]1[C@@H]2OC(O1)(C)C)C
• Canonical SMILES: CC1(C)OC[C@@H]2[C@H](O1)[C@H]1OC(O[C@H]1O2)(C)C
• InChI: InChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
• InChIKey: NKZDPBSWYPINNF-BZNPZCIMSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.0^2,^6]dodecane
• IUPAC传统名: (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.0^2,^6]dodecane
• 别名: 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

登记号

• CAS号: 20881-04-3
• MDL号: MFCD00063224
• PubChem SID: 180672813
• PubChem CID: 30337

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.1026449
• LogD (pH = 7.4): 1.1026449
• Log P: 1.1026449
• 摩尔折射率: 54.3749 cm^3
• 极化性: 22.373707 Å^3
• 极化表面积: 46.15 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%