[(2-amino-3-hydroxyoctadec-4-en-1-yl)oxy]phosphonic acid

• ChemBase编号: 105087
• 分子式: C18H38NO5P
• 平均质量: 379.471781
• 单一同位素质量: 379.24875995
• SMILES: CCCCCCCCCCCCC/C=C/C(O)C(N)COP(=O)(O)O
• Canonical SMILES: CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)N)O
• InChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)
• InChIKey: DUYSYHSSBDVJSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2-amino-3-hydroxyoctadec-4-en-1-yl)oxy]phosphonic acid
• IUPAC传统名: (2-amino-3-hydroxyoctadec-4-en-1-yl)oxyphosphonic acid
• 别名: SPHINGOSINE-1-PHOSPHATE

登记号

• CAS号: 26993-30-6
• PubChem SID: 162091858
• PubChem CID: 5353956

理论计算性质

• Acid pKa: 1.510148
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 3.3954642
• LogD (pH = 7.4): 2.525948
• Log P: 3.4308577
• 摩尔折射率: 102.7649 cm^3
• 极化性: 40.662235 Å^3
• 极化表面积: 113.01 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 02158737

Purity: 98%
A second messenger which mobilizes calcium from intracellular stores. Phospholipase D activator and inhibitor of tumor cell motility and invasiveness. Growth promoter of quiescent Swiss 3T3 fibroblasts.

参考文献

• Sadahira, Y., et al., Proc. Natl. Acad. Sci. USA, 89 : 9686, (1992).
• Mattie, M., et al., J. Biol. Chem. , 269 : 3181, (1994).
• Desai, N.N., et al., J. Biol. Chem. , 267 : 23122, (1992).