ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(14-methylhexadecanoyl)oxy]propyl (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate | C43H77O13P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(14-methylhexadecanoyl)oxy]propyl (5Z,9α,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC43H77O13P
  • Average mass833.037 Da
  • Monoisotopic mass832.510193 Da
  • ChemSpider ID128427799

  • 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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(14-methylhexadecanoyl)oxy]propyl (5Z,9α,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(14-methylhexadecanoyl)oxy]propyl-(5Z,9α,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
(5Z,9α,13E,15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dién-1-oate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(14-méthylhexadecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(14-methyl-1-oxohexadecyl)oxy]propyl ester, (5Z,9α,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: 8.33
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 12.81
ACD/KOC (pH 5.5): 22.94
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 10.83
ACD/KOC (pH 7.4): 19.40
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

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