[(3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl)oxy]phosphonic acid

• ChemBase编号: 127183
• 分子式: C25H45O4P
• 平均质量: 440.596161
• 单一同位素质量: 440.30554655
• SMILES: CC(CCOP(=O)(O)O)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• Canonical SMILES: CC(CCOP(=O)(O)O)CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
• InChI: InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)
• InChIKey: GYBNOAFGEKAZTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl)oxy]phosphonic acid
• IUPAC系统名: [(3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl)oxy]phosphonic acid
• IUPAC传统名: dolichol monophosphate
• 别名: Dolichol monophosphate

登记号

• CAS号: 12698-55-4
• PubChem SID: 162221505
• PubChem CID: 14030464; 24892715
• CHEBI ID: 16214
• Chemspider ID: 21864805
• KEGG ID: C00110
• 医学主题词(MeSH): Dolichol+monophosphate
• 维基百科标题: Dolichol_monophosphate

理论计算性质

• Acid pKa: 1.8000172
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 5.231218
• LogD (pH = 7.4): 4.5594735
• Log P: 7.607632
• 摩尔折射率: 132.7668 cm^3
• 极化性: 50.653027 Å^3
• 极化表面积: 66.76 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false