ChemSpider 2D Image | (19R,22S,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-9-hexadecenoate | C38H73O10P

(19R,22S,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9E)-9-hexadecenoate

  • Molecular FormulaC38H73O10P
  • Average mass720.954 Da
  • Monoisotopic mass720.494141 Da
  • ChemSpider ID59053088

  • 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

(19R,22S,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9E)-9-hexadecenoate [ACD/IUPAC Name]
(19R,22S,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl-(9E)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Hexadécénoate de (19R,22S,25R)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[[(S)-[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.3±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 196.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.51
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 52911.18
ACD/KOC (pH 5.5): 8890.54
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 44748.97
ACD/KOC (pH 7.4): 7519.07
Polar Surface Area: 159 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 686.5±3.0 cm3

Click to predict properties on the Chemicalize site


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