({hydroxy[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]phosphoryl}oxy)phosphonic acid triamine

• ChemBase ID: 106055
• Molecular Formular: C20H45N3O7P2
• Molecular Mass: 501.534722
• Monoisotopic Mass: 501.27327406
• SMILES: N.N.N.CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C
• Canonical SMILES: C/C(=C\CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/CC/C=C(/CCC=C(C)C)\C.N.N.N
• InChI: InChI=1S/C20H36O7P2.3H3N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23;;;/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23);3*1H3
• InChIKey: DPBMYHRTNHKGIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({hydroxy[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]phosphoryl}oxy)phosphonic acid triamine
• IUPAC Traditional name: triamine geranylgeranyl diphosphate
• Synonyms: 3,7,11,15-Tetramethyl-2,6-10,14-hexadecatetraenyl pyrophosphate NH₃; GERANYLGERANYLPYROPHOSPHATE TRIAMMONIUM SALT

Database IDs

• CAS Number: 6699-20-3
• PubChem SID: 162092866
• PubChem CID: 71299734

CALCULATED PROPERTIES

• Acid pKa: 1.7672187
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.8583144
• LogD (pH = 7.4): 0.23220448
• Log P: 5.2764473
• Molar Refractivity: 120.5331 cm^3
• Polarizability: 45.936985 Å^3
• Polar Surface Area: 113.29 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C, Store Under Nitrogen

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02198736

Triammonium Salt
Purity: 95%
A posttranslational modification reagent which is a geranylgeranyl-donor molecule used for isoprenylation of proteins accompanied by geranylgeranyltransferase.

REFERENCES

• Seabra, M., et al., J. Biol. Chem. , 267 : 14497, (1992).