ChemSpider 2D Image | Prostaglandin E1-d4 | C20H30D4O5

Prostaglandin E1-d4

  • Molecular FormulaC20H30D4O5
  • Average mass358.506 Da
  • Monoisotopic mass358.265717 Da
  • ChemSpider ID29342014
  • Double-bond stereo - Double-bond stereo

    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,13E,15R)-11,15-Dihydroxy-9-oxo(3,3,4,4-2H4)prost-13-en-1-oic acid [ACD/IUPAC Name]
(11α,13E,15R)-11,15-Dihydroxy-9-oxo(3,3,4,4-2H4)prost-13-en-1-säure [German] [ACD/IUPAC Name]
211105-33-8 [RN]
Acide (11α,13E,15R)-11,15-dihydroxy-9-oxo(3,3,4,4-2H4)prost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic-3,3,4,4-d4 acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15R)- [ACD/Index Name]
Prostaglandin E1-d4
9-oxo-11?,15S-dihydroxy-prost-13E-en-1-oic-3,3,4,4-d4 acid
9-oxo-11α,15S-dihydroxy-prost-13E-en-1-oic-3,3,4,4-d4 acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 529.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 288.0±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 12.01
ACD/KOC (pH 5.5): 122.11
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 95 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

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