ChemSpider 2D Image | lysophosphatidic acid 0:0/18:2(9Z,12Z) | C21H39O7P

lysophosphatidic acid 0:0/18:2(9Z,12Z)

  • Molecular FormulaC21H39O7P
  • Average mass434.504 Da
  • Monoisotopic mass434.243347 Da
  • ChemSpider ID24766513

  • 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)-1-Hydroxy-3-(phosphonooxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2R)-1-Hydroxy-3-(phosphonooxy)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2R)-1-hydroxy-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1R)-2-hydroxy-1-[(phosphonooxy)methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
lysophosphatidic acid 0:0/18:2(9Z,12Z)
(2R)-1-hydroxy-3-(phosphonooxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
(2R)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid
[(2R)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid
2-(9Z,12Z-Octadecadienoyl)-phosphatidic acid
2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 582.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.8±32.9 °C
Index of Refraction: 1.500
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.63
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 389.3±3.0 cm3

Click to predict properties on the Chemicalize site


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