ChemSpider 2D Image | (2E,6E,10E,14E)-3,7,11,15-Tetramethyl(16,16,16-~2~H_3_)-2,6,10,14-hexadecatetraen-1-yl trihydrogen diphosphate | C20H33D3O7P2

(2E,6E,10E,14E)-3,7,11,15-Tetramethyl(16,16,16-2H3)-2,6,10,14-hexadecatetraen-1-yl trihydrogen diphosphate

  • Molecular FormulaC20H33D3O7P2
  • Average mass453.462 Da
  • Monoisotopic mass453.212463 Da
  • ChemSpider ID9595621

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E,6E,10E,14E)-3,7,11,15-Tetramethyl(16,16,16-2H3)-2,6,10,14-hexadecatetraen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E,6E,10E,14E)-3,7,11,15-Tetramethyl(16,16,16-2H3)-2,6,10,14-hexadecatetraen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(2E,6E,10E,14E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl-16,16,16-d3] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E,6E,10E,14E)-3,7,11,15-tétraméthyl(16,16,16-2H3)-2,6,10,14-hexadécatétraén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 307.0±32.9 °C
Index of Refraction: 1.514
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 385.9±3.0 cm3

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