(6E,10E,14E,18E,22E,26E,30E,34E)-36-bromo-2,6,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaene

• ChemBase ID: 177824
• Molecular Formular: C45H73Br
• Molecular Mass: 693.96512
• Monoisotopic Mass: 692.48956434
• SMILES: BrC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C
• Canonical SMILES: BrC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C
• InChI: InChI=1S/C45H73Br/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
• InChIKey: SRKXEISKIAWCGM-MEGGAXOGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,10E,14E,18E,22E,26E,30E,34E)-36-bromo-2,6,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
• IUPAC Traditional name: (6E,10E,14E,18E,22E,26E,30E,34E)-36-bromo-2,6,10,14,18,22,26,30,34-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
• Synonyms: Diphosphoric Acid P-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl] Ester Triammonium; (all-E)-Diphosphoric Acid Mono(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl) Ester Triammonium; Solanesyl Diphosphate Triammonium; Solanesyl-PP Triammonium; all-trans-Nonaprenyl Pyrophosphate Triammonium; Solanesyl Pyrophosphate Triammonium SaltDiscontinued

Database IDs

• PubChem SID: 164233734
• PubChem CID: 11158266

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 15.66047
• LogD (pH = 7.4): 15.66047
• Log P: 15.66047
• Molar Refractivity: 223.8348 cm^3
• Polarizability: 84.090225 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - S676550

A new class of prenyltransferase. Solanesyl diphosphate synthase Micrococcus.

REFERENCES

• Ohnuma, S., et al.: J. Biol. Chem., 266, 23706 (1991)