ChemSpider 2D Image | (7E,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9E)-9-octadecenoate | C40H75O10P

(7E,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-yl (9E)-9-octadecenoate

  • Molecular FormulaC40H75O10P
  • Average mass746.991 Da
  • Monoisotopic mass746.509766 Da
  • ChemSpider ID59699496

  • 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

(7E,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-yl (9E)-9-octadecenoate [ACD/IUPAC Name]
(7E,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-yl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (7E,19R,25S)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacos-7-én-19-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (9E)- [ACD/Index Name]
[(2S)-2,3-dihydroxypropoxy][(2R)-3-(hexadec-9-enoyloxy)-2-(octadec-9-enoyloxy)propoxy]phosphinic acid
PG(16:1(9Z)/18:1(9Z))

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

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: 13.06
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 36178.67
ACD/KOC (pH 5.5): 6772.59
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 30597.66
ACD/KOC (pH 7.4): 5727.84
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

Click to predict properties on the Chemicalize site


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