ChemSpider 2D Image | (2R)-2-Hydroxy-3-(phosphonooxy)propyl (13,13,14,14,15,15,16,16,16-~2~H_9_)hexadecanoate | C19H30D9O7P

(2R)-2-Hydroxy-3-(phosphonooxy)propyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate

  • Molecular FormulaC19H30D9O7P
  • Average mass419.538 Da
  • Monoisotopic mass419.299835 Da
  • ChemSpider ID112747216

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(13,13,14,14,15,15,16,16,16-2H9)Hexadécanoate de (2R)-2-hydroxy-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-(phosphonooxy)propyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-(phosphonooxy)propyl-(13,13,14,14,15,15,16,16,16-2H9)hexadecanoat [German] [ACD/IUPAC Name]
Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 292.9±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 369.0±3.0 cm3

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