Found 1 result

Search term: 113381018 (Found by CSID)
ChemSpider 2D Image | (2R)-2-{[(6E)-5-Hydroxy-8-oxo-6-octenoyl]oxy}-3-(phosphonooxy)propyl (9Z)-9-octadecenoate | C29H51O10P

(2R)-2-{[(6E)-5-Hydroxy-8-oxo-6-octenoyl]oxy}-3-(phosphonooxy)propyl (9Z)-9-octadecenoate

  • Molecular FormulaC29H51O10P
  • Average mass590.683 Da
  • Monoisotopic mass590.321960 Da
  • ChemSpider ID113381018

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-{[(6E)-5-Hydroxy-8-oxo-6-octenoyl]oxy}-3-(phosphonooxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-2-{[(6E)-5-Hydroxy-8-oxo-6-octenoyl]oxy}-3-(phosphonooxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-2-{[(6E)-5-hydroxy-8-oxo-6-octenoyl]oxy}-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2R)-2-[[(6E)-5-hydroxy-1,8-dioxo-6-octen-1-yl]oxy]-3-(phosphonooxy)propyl ester, (9Z)- [ACD/Index Name]
1-(9Z-octadecenoyl)-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphate
OHOOA-PA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 714.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 386.0±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 6.51
ACD/KOC (pH 5.5): 14.69
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 166 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 522.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement