ChemSpider 2D Image | Prostaglandin A2-d4 | C20H26D4O4

Prostaglandin A2-d4

  • Molecular FormulaC20H26D4O4
  • Average mass338.474 Da
  • Monoisotopic mass338.239502 Da
  • ChemSpider ID29342023

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z,13E,15S)-15-Hydroxy-9-oxo(3,3,4,4-2H4)prosta-5,10,13-trien-1-oic acid [ACD/IUPAC Name]
(5Z,13E,15S)-15-Hydroxy-9-oxo(3,3,4,4-2H4)prosta-5,10,13-trien-1-säure [German] [ACD/IUPAC Name]
201608-18-6 [RN]
Acide (5Z,13E,15S)-15-hydroxy-9-oxo(3,3,4,4-2H4)prosta-5,10,13-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,10,13-trien-1-oic-3,3,4,4-d4 acid, 15-hydroxy-9-oxo-, (5Z,13E,15S)- [ACD/Index Name]
Prostaglandin A2-d4
9-oxo-15S-hydroxy-prosta-5Z,10,13E-trien-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: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 279.6±26.6 °C
Index of Refraction: 1.555
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: 3.25
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 35.48
ACD/KOC (pH 5.5): 261.80
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.18
Polar Surface Area: 75 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 303.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement