ChemSpider 2D Image | 1,3-Dihydroxy-2-propanyl (5Z,8beta,11beta,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate | C23H38O7

1,3-Dihydroxy-2-propanyl (5Z,8β,11β,12α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC23H38O7
  • Average mass426.544 Da
  • Monoisotopic mass426.261749 Da
  • ChemSpider ID30776688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,8β,11β,12α,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dién-1-oate de 1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl (5Z,8β,11β,12α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl-(5Z,8β,11β,12α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (5Z,8β,11β,12α,13E,15S)- [ACD/Index Name]
1,3-dihydroxypropan-2-yl (5Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoate
Prostaglandin PGE2 glyceryl ester

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 204.8±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.72
ACD/KOC (pH 5.5): 272.47
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.72
ACD/KOC (pH 7.4): 272.47
Polar Surface Area: 124 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 360.6±3.0 cm3

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