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ChemSpider 2D Image | (19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-9-octadecenoate | C40H77O10P

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

  • Molecular FormulaC40H77O10P
  • Average mass749.007 Da
  • Monoisotopic mass748.525000 Da
  • ChemSpider ID25057750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9E)-9-octadecenoate [ACD/IUPAC Name]
(19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (19R,25S)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[[(2S)-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±0.0 g/cm3
Boiling Point: 778.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 129.2±0.0 kJ/mol
Flash Point: 424.9±0.0 °C
Index of Refraction: 1.484
Molar Refractivity: 205.9±0.0 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 13.17
ACD/LogD (pH 5.5): 9.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 133645.00
ACD/LogD (pH 7.4): 9.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 109958.13
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.0 10-24cm3
Surface Tension: 40.6±0.0 dyne/cm
Molar Volume: 719.5±0.0 cm3

Click to predict properties on the Chemicalize site


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