ChemSpider 2D Image | (2E,6E)-7,11-Dimethyl-3-(~2~H_3_)methyl-2,6,10-dodecatrien-1-yl trihydrogen diphosphate | C15H25D3O7P2

(2E,6E)-7,11-Dimethyl-3-(2H3)methyl-2,6,10-dodecatrien-1-yl trihydrogen diphosphate

  • Molecular FormulaC15H25D3O7P2
  • Average mass385.345 Da
  • Monoisotopic mass385.149841 Da
  • ChemSpider ID48061597

  • 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)-7,11-Dimethyl-3-(2H3)methyl-2,6,10-dodecatrien-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E,6E)-7,11-Dimethyl-3-(2H3)methyl-2,6,10-dodecatrien-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(2E,6E)-7,11-dimethyl-3-(methyl-d3)-2,6,10-dodecatrien-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E,6E)-7,11-diméthyl-3-(2H3)méthyl-2,6,10-dodécatrién-1-yle [French] [ACD/IUPAC Name]
[(2E,6E)-7,11-dimethyl-3-(trideuteriomethyl)dodeca-2,6,10-trienyl] phosphono hydrogen phosphate
1366590-48-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 276.6±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

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