ChemSpider 2D Image | (2R)-2-Hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C25H39O7P

(2R)-2-Hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC25H39O7P
  • Average mass482.547 Da
  • Monoisotopic mass482.243347 Da
  • ChemSpider ID26328275
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2r)-2-Hydroxy-3-(Phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-Docosa-4,7,10,13,16,19-Hexaenoate
(2R)-2-Hydroxy-3-(phosphonooxy)propyl-(4Z,7E,10E,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7E,10E,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2R)-2-hydroxy-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, (4Z,7E,10E,13Z,16Z,19Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 330.6±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 429.8±3.0 cm3

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