ChemSpider 2D Image | (19R,25S)-22,25,26-Trihydroxy-2-methyl-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate | C43H81O13P

(19R,25S)-22,25,26-Trihydroxy-2-methyl-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate

  • Molecular FormulaC43H81O13P
  • Average mass837.069 Da
  • Monoisotopic mass836.541504 Da
  • ChemSpider ID128427956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(19R,25S)-22,25,26-Trihydroxy-2-methyl-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oate [ACD/IUPAC Name]
(19R,25S)-22,25,26-Trihydroxy-2-methyl-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl-(9α,11α,13E,15S)-9,11,15-trihydroxyprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxyprost-13-én-1-oate de (19R,25S)-22,25,26-trihydroxy-2-méthyl-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(15-methyl-1-oxohexadecyl)oxy]methyl]ethyl ester, (9α,11α,13E,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 875.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.6±6.0 kJ/mol
Flash Point: 483.3±37.1 °C
Index of Refraction: 1.521
Molar Refractivity: 224.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 31.85
ACD/KOC (pH 5.5): 44.03
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 26.94
ACD/KOC (pH 7.4): 37.24
Polar Surface Area: 219 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 736.2±3.0 cm3

Click to predict properties on the Chemicalize site


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