ChemSpider 2D Image | (2S)-3-(Phosphonooxy)-1,2-propanediyl dihexadecanoate | C35H69O8P

(2S)-3-(Phosphonooxy)-1,2-propanediyl dihexadecanoate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID9236446
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-(Phosphonooxy)-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
(2S)-3-(Phosphonooxy)-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de (2S)-3-(phosphonooxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1S)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester [ACD/Index Name]
58560-71-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 706.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 381.3±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.67
ACD/LogD (pH 5.5): 9.09
ACD/BCF (pH 5.5): 736542.00
ACD/KOC (pH 5.5): 60845.14
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 86661.30
ACD/KOC (pH 7.4): 7159.02
Polar Surface Area: 129 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 639.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement