{[hydroxy({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid amine

• ChemBase编号: 154867
• 分子式: C15H31NO7P2
• 平均质量: 399.356662
• 单一同位素质量: 399.1575756
• SMILES: CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C.N
• Canonical SMILES: C/C(=C\COP(=O)(OP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)\C.N
• InChI: InChI=1S/C15H28O7P2.H3N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18;/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18);1H3/b14-9+,15-11+
• InChIKey: CPYJTMLHKIWGDF-NDHHSALASA-N

名称和登记号

名称

• IUPAC标准名: {[hydroxy({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid amine
• IUPAC传统名: amine farnesyl diphosphate
• 别名: (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl pyrophosphate ammonium salt; Farnesyl diphosphate ammonium salt; trans,trans-Farnesyl pyrophosphate ammonium salt

登记号

• Beilstein号: 2482197
• PubChem SID: 162249005
• PubChem CID: 16219347

理论计算性质

• Acid pKa: 1.7672187
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -0.78978175
• LogD (pH = 7.4): -1.4174509
• Log P: 3.616733
• 摩尔折射率: 96.7305 cm^3
• 极化性: 37.048374 Å^3
• 极化表面积: 113.29 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95.0% (HPLC)
• Empirical Formula (Hill Notation): C15H28O7P2 · xNH3

详细说明

Sigma Aldrich - 44270

Biochem/physiol Actions
Farnesyl pyrophosphate is a key intermediate in the biosynthesis of more complex sesquiterpenoids, higher terpenoids, and steroids1 and different biological functions have been discovered for FPP and the corresponding alcohol farnesol2,3,4,5,6,7. FPP plays an important role in the posttranslational processing of Ras proteins. Mutated forms of Ras are associated with human cancer and are therefore investigated in cancer research5,6.