ChemSpider 2D Image | (19R,25S)-22,25,26-Trihydroxy-3-methyl-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate | C43H77O13P

(19R,25S)-22,25,26-Trihydroxy-3-methyl-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC43H77O13P
  • Average mass833.037 Da
  • Monoisotopic mass832.510193 Da
  • ChemSpider ID128427796

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(19R,25S)-22,25,26-Trihydroxy-3-methyl-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
(19R,25S)-22,25,26-Trihydroxy-3-methyl-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl-(5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
(5Z,11α,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dién-1-oate de (19R,25S)-22,25,26-trihydroxy-3-méthyl-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(14-methyl-1-oxohexadecyl)oxy]methyl]ethyl ester, (5Z,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: 874.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.4±6.0 kJ/mol
Flash Point: 482.8±37.1 °C
Index of Refraction: 1.523
Molar Refractivity: 222.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 12.75
ACD/KOC (pH 5.5): 22.87
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 19.34
Polar Surface Area: 216 Å2
Polarizability: 88.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 729.4±3.0 cm3

Click to predict properties on the Chemicalize site


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