ChemSpider 2D Image | [(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate | C19H37O8P

[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate

  • Molecular FormulaC19H37O8P
  • Average mass424.466 Da
  • Monoisotopic mass424.222595 Da
  • ChemSpider ID35035628

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Heptanoyloxy)-3-(phosphonooxy)-2-propanyl nonanoate [ACD/IUPAC Name]
(2R)-1-(Heptanoyloxy)-3-(phosphonooxy)-2-propanyl-nonanoat [German] [ACD/IUPAC Name]
[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
Nonanoate de (2R)-1-(heptanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Nonanoic acid, (1R)-2-[(1-oxoheptyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
[(2r)-2-Heptanoyloxy-3-Phosphonooxy-Propyl]nonanoate
7P9
PCF

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 283.4±32.9 °C
Index of Refraction: 1.473
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.03
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 375.0±3.0 cm3

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