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Search term: 113380980 (Found by CSID)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(6E)-5,8-dioxo-6-octenoyl]oxy}propyl (9Z)-9-octadecenoate | C32H55O12P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(6E)-5,8-dioxo-6-octenoyl]oxy}propyl (9Z)-9-octadecenoate

  • Molecular FormulaC32H55O12P
  • Average mass662.746 Da
  • Monoisotopic mass662.343140 Da
  • ChemSpider ID113380980

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(6E)-5,8-dioxo-6-octenoyl]oxy}propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(6E)-5,8-dioxo-6-octenoyl]oxy}propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(6E)-5,8-dioxo-6-octenoyl]oxy}propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(6E)-1,5,8-trioxo-6-octen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
1-(9Z-octadecenoyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
OKOOA-PG

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

Density: 1.2±0.1 g/cm3
Boiling Point: 775.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.7±6.0 kJ/mol
Flash Point: 423.1±35.7 °C
Index of Refraction: 1.499
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 5.99
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 5.07
Polar Surface Area: 193 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 575.5±3.0 cm3

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