ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(6Z)-6-tridecenoyloxy]propyl (9Z)-9-octadecenoate | C37H69O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(6Z)-6-tridecenoyloxy]propyl (9Z)-9-octadecenoate

  • Molecular FormulaC37H69O10P
  • Average mass704.911 Da
  • Monoisotopic mass704.462830 Da
  • ChemSpider ID25059210

  • 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-[(6Z)-6-tridecenoyloxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(6Z)-6-tridecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(2R)-3-{[(R)-[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-tridecenoyloxy]propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(R)-[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-tridecenoyloxy]propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(2r)-3-{[(R)-{[(2s)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-2-[(6z)-Tridec-6-Enoyloxy]propyl (9z)-Octadec-9-Enoate
(9Z)-9-Octadécénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(6Z)-6-tridecenoyloxy]propyle [French] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-3-{[(R)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-tridecenoyloxy]propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2R)-3-[[(R)-[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(6Z)-1-oxo-6-tridecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
9-Octadecenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(6Z)-1-oxo-6-tridecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
OZ2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 752.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 408.8±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 192.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 11.53
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 4191.15
ACD/KOC (pH 5.5): 1447.73
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 3544.71
ACD/KOC (pH 7.4): 1224.43
Polar Surface Area: 159 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 663.6±3.0 cm3

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