ChemSpider 2D Image | (5E)-PGB2 | C20H30O4

(5E)-PGB2

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID26329686

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5E)-PGB2
(5E,13E,15S)-15-Hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid [ACD/IUPAC Name]
(5E,13E,15S)-15-Hydroxy-9-oxoprosta-5,8(12),13-trien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,8(12),13-trien-1-oic acid, 15-hydroxy-9-oxo-, (5E,13E,15S)- [ACD/Index Name]
Prostaglandin B2
(5E)-7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}hept-5-enoic acid
13367-85-6 [RN]
15S-hydroxy-9-oxo-5E,8(12),13E-prostatrienoic acid
5E-PGB2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BIU61O9T9T [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 292.6±26.6 °C
Index of Refraction: 1.564
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 64.38
ACD/KOC (pH 5.5): 398.86
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 75 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

Click to predict properties on the Chemicalize site


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