ChemSpider 2D Image | (2R)-2-Hydroxy-3-(phosphonooxy)propyl (9E)-9-octadecenoate | C21H41O7P

(2R)-2-Hydroxy-3-(phosphonooxy)propyl (9E)-9-octadecenoate

  • Molecular FormulaC21H41O7P
  • Average mass436.520 Da
  • Monoisotopic mass436.259003 Da
  • ChemSpider ID26328272

  • 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 (9E)-9-octadecenoate [ACD/IUPAC Name]
(2r)-2-Hydroxy-3-(Phosphonooxy)propyl (9e)-Octadec-9-Enoate
(2R)-2-Hydroxy-3-(phosphonooxy)propyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2R)-2-hydroxy-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
303128-36-1 [RN]
9-Octadecenoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, (9E)- [ACD/Index Name]
[(2R)-2-hydroxy-3-(octadec-9-enoyloxy)propoxy]phosphonic acid
65528-98-5 [RN]
LPA(18:1(9Z)/0:0)
NKP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 305.5±32.9 °C
Index of Refraction: 1.490
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 8.38
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 395.7±3.0 cm3

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