ChemSpider 2D Image | N-[(15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]aspartic acid | C24H39NO7

N-[(15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]aspartic acid

  • Molecular FormulaC24H39NO7
  • Average mass453.569 Da
  • Monoisotopic mass453.272644 Da
  • ChemSpider ID62232471

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Acide N-[(15S)-15-hydroxy-1,9-dioxoprost-13-én-1-yl]aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[(15S)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]- [ACD/Index Name]
N-[(15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]asparaginsäure [German] [ACD/IUPAC Name]
N-[(15S)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]aspartic acid [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 355.6±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 383.2±3.0 cm3

Click to predict properties on the Chemicalize site


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