ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-1,2-propanediyl diheptanoate | C17H33O8P

(2R)-3-(Phosphonooxy)-1,2-propanediyl diheptanoate

  • Molecular FormulaC17H33O8P
  • Average mass396.413 Da
  • Monoisotopic mass396.191315 Da
  • ChemSpider ID24700518

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(Phosphonooxy)-1,2-propandiyl-diheptanoat [German] [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-1,2-propanediyl diheptanoate [ACD/IUPAC Name]
(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
Diheptanoate de (2R)-3-(phosphonooxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Heptanoic acid, (1R)-2-[(1-oxoheptyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
(2R)-2,3-bis(heptanoyloxy)propoxyphosphonic acid
[(2R)-2,3-bis(heptanoyloxy)propoxy]phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482505/
PD7

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 270.3±32.9 °C
Index of Refraction: 1.473
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement