ChemSpider 2D Image | (2S)-3-{[(R)-[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-hexadecenoyloxy]propyl (8E)-8-octadecenoate | C40H75O10P

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

  • Molecular FormulaC40H75O10P
  • Average mass746.991 Da
  • Monoisotopic mass746.509766 Da
  • ChemSpider ID4451130

  • 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

(2S)-3-{[(R)-[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-hexadecenoyloxy]propyl (8E)-8-octadecenoate [ACD/IUPAC Name]
(2S)-3-{[(R)-[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-hexadecenoyloxy]propyl-(8E)-8-octadecenoat [German] [ACD/IUPAC Name]
(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
(8E)-8-Octadécénoate de (2S)-3-{[(R)-[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-[(6Z)-6-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
8-Octadecenoic acid, (2S)-3-[[(R)-[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(6Z)-1-oxo-6-hexadecen-1-yl]oxy]propyl ester, (8E)- [ACD/Index Name]
P6L

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 778.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 205.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.12
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 153603.77
ACD/KOC (pH 5.5): 19064.72
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 129912.17
ACD/KOC (pH 7.4): 16124.21
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 713.1±3.0 cm3

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