ChemSpider 2D Image | 5,6-DIHYDRO PGE3 | C20H32O5

5,6-DIHYDRO PGE3

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID28537063
  • 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

(11α,13E,15S,17E)-11,15-Dihydroxy-9-oxoprosta-13,17-dien-1-oic acid [ACD/IUPAC Name]
(11α,13E,15S,17E)-11,15-Dihydroxy-9-oxoprosta-13,17-dien-1-säure [German] [ACD/IUPAC Name]
119008-22-9 [RN]
5,6-DIHYDRO PGE3
Acide (11α,13E,15S,17E)-11,15-dihydroxy-9-oxoprosta-13,17-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-13,17-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S,17E)- [ACD/Index Name]
[119008-22-9]
7-((1R,2R,3R)-3-Hydroxy-2-((S,1E,5E)-3-hydroxyocta-1,5-dien-1-yl)-5-oxocyclopentyl)heptanoic acid
7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]heptanoic acid
MFCD00216051 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 539.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 294.4±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 48.87
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

Click to predict properties on the Chemicalize site






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