ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl (9alpha,11alpha,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate | C46H81O14P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl (9α,11α,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate

  • Molecular FormulaC46H81O14P
  • Average mass889.101 Da
  • Monoisotopic mass888.536377 Da
  • ChemSpider ID128427604

  • 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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl (9α,11α,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyl-(9α,11α,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-én-1-oate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z,14Z)-11,14-icosadienoyloxy]propyle [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-6-oxo-, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]propyl ester, (9α,11α,13E,15S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 922.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.2±6.0 kJ/mol
Flash Point: 511.5±37.1 °C
Index of Refraction: 1.531
Molar Refractivity: 238.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 11.19
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 7.4): 9.46
Polar Surface Area: 236 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 769.7±3.0 cm3

Click to predict properties on the Chemicalize site


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