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

• ChemBase ID: 105364
• Molecular Formular: C15H37N3O7P2
• Molecular Mass: 433.417702
• Monoisotopic Mass: 433.2106738
• SMILES: N.N.N.CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C
• Canonical SMILES: C/C(=C\COP(=O)(OP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)\C.N.N.N
• InChI: InChI=1S/C15H28O7P2.3H3N/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);3*1H3
• InChIKey: GSWRJNPTNZUHOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({hydroxy[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]phosphoryl}oxy)phosphonic acid triamine
• IUPAC Traditional name: triamine farnesol pyrophosphate
• Synonyms: 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol pyrophosphate; FARNESYLPYROPHOSPHATE

Database IDs

• CAS Number: 13058-04-3
• PubChem SID: 162092111
• PubChem CID: 71299715

CALCULATED PROPERTIES

• Acid pKa: 1.7672187
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.8013999
• LogD (pH = 7.4): -1.4275098
• Log P: 3.616733
• Molar Refractivity: 96.7305 cm^3
• Polarizability: 37.048374 Å^3
• Polar Surface Area: 113.29 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02159919

Purity: 98%
A farnesyl-donor molecule used for the farnesylation of proteins with the aid of farnesyltransferase.

REFERENCES

• Reiss, Y., et al., J. Biol. Chem. , 267 : 6403 (1992).
• Pompliano, D.L., et al., Biochemistry , 31 : 3800 (1992).