ChemSpider 2D Image | 13,14-dihydro Prostaglandin E1-d4 | C20H32D4O5

13,14-dihydro Prostaglandin E1-d4

  • Molecular FormulaC20H32D4O5
  • Average mass360.522 Da
  • Monoisotopic mass360.281372 Da
  • ChemSpider ID29342009

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11α,15S)-11,15-Dihydroxy-9-oxo(3,3,4,4-2H4)prostan-1-oic acid [ACD/IUPAC Name]
(11α,15S)-11,15-Dihydroxy-9-oxo(3,3,4,4-2H4)prostan-1-säure [German] [ACD/IUPAC Name]
13,14-dihydro Prostaglandin E1-d4
Acide (11α,15S)-11,15-dihydroxy-9-oxo(3,3,4,4-2H4)prostan-1-oïque [French] [ACD/IUPAC Name]
Prostan-1-oic-3,3,4,4-d4 acid, 11,15-dihydroxy-9-oxo-, (11α,15S)- [ACD/Index Name]
9-oxo-11?,15S-dihydroxy-prostan-1-oic-3,3,4,4-d4 acid
9-oxo-11α,15S-dihydroxy-prostan-1-oic-3,3,4,4-d4 acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 295.3±22.4 °C
Index of Refraction: 1.500
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 14.12
ACD/KOC (pH 5.5): 137.14
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.20
Polar Surface Area: 95 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

Click to predict properties on the Chemicalize site


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