ChemSpider 2D Image | phytyl diphosphate | C20H42O7P2

phytyl diphosphate

  • Molecular FormulaC20H42O7P2
  • Average mass456.491 Da
  • Monoisotopic mass456.240570 Da
  • ChemSpider ID24846762

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl] ester [ACD/Index Name]
phytyl diphosphate
Trihydrogénodiphosphate de (2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yle [French] [ACD/IUPAC Name]
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl trihydrogen diphosphate
3,7R,11R,15-tetramethyl-2E-hexadecen-1-ol diphosphate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 291.7±28.2 °C
Index of Refraction: 1.484
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 406.8±3.0 cm3

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