ChemSpider 2D Image | Prostaglandin B2-d4 | C20H26D4O4

Prostaglandin B2-d4

  • Molecular FormulaC20H26D4O4
  • Average mass338.474 Da
  • Monoisotopic mass338.239502 Da
  • ChemSpider ID29342025

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 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-5,8(12),13-trien-1-oic acid [ACD/IUPAC Name]
(5Z,13E,15S)-15-Hydroxy-9-oxo(3,3,4,4-2H4)prosta-5,8(12),13-trien-1-säure [German] [ACD/IUPAC Name]
211105-23-6 [RN]
Acide (5Z,13E,15S)-15-hydroxy-9-oxo(3,3,4,4-2H4)prosta-5,8(12),13-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,8(12),13-trien-1-oic-3,3,4,4-d4 acid, 15-hydroxy-9-oxo-, (5Z,13E,15S)- [ACD/Index Name]
Prostaglandin B2-d4
(Z)-3,3,4,4-tetradeuterio-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
9-oxo-15S-hydroxy-prosta-5Z,8(12),13E-trien-1-oic-3,3,4,4-d4 acid
9-oxo-15S-hydroxy-prosta-5Z,8(12),13E-trien-1-oic-3,3,4,4-d4acid

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

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