ChemSpider 2D Image | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | C24H30O9P2

(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE

  • Molecular FormulaC24H30O9P2
  • Average mass524.437 Da
  • Monoisotopic mass524.136475 Da
  • ChemSpider ID394566

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-8-[(3-Benzoylbenzyl)oxy]-3,7-dimethyl-2,6-octadien-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E,6E)-8-[(3-Benzoylbenzyl)oxy]-3,7-dimethyl-2,6-octadien-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
Diphosphoric acid, mono[(2E,6E)-8-[(3-benzoylphenyl)methoxy]-3,7-dimethyl-2,6-octadien-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E,6E)-8-[(3-benzoylbenzyl)oxy]-3,7-diméthyl-2,6-octadién-1-yle [French] [ACD/IUPAC Name]
1NH

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 698.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.3±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 395.7±3.0 cm3

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