ChemSpider 2D Image | {2-Methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | C40H68O7P2

{2-Methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl}methyl trihydrogen diphosphate

  • Molecular FormulaC40H68O7P2
  • Average mass722.911 Da
  • Monoisotopic mass722.444031 Da
  • ChemSpider ID4517882
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{2-Methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl}methyl trihydrogen diphosphate [ACD/IUPAC Name]
{2-Methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl}methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[[2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de {2-méthyl-3-[(1E,5E,9E)-2,6,10,14-tétraméthyl-1,5,9,13-pentadécatétraén-1-yl]-2-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]cyclopropyl}méthyle [French] [ACD/IUPAC Name]
(2-Methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraenyl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]cyclopropyl)methyl trihydrogen diphosphate
{2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
Diphosphoric acid, mono[[2-methyl-3-(2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraenyl)-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)cyclopropyl]methyl] ester, [1α,2β(3E,7E),3β(1E,5E,9E)]-
prelycopersene pyrophosphate
prephytoene diphosphate
Prephytoene pyrophosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 761.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 414.1±35.7 °C
Index of Refraction: 1.529
Molar Refractivity: 208.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 13.09
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 5664.74
ACD/KOC (pH 5.5): 869.45
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 1140.72
ACD/KOC (pH 7.4): 175.08
Polar Surface Area: 133 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 675.2±3.0 cm3

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