ChemSpider 2D Image | N-[(8beta,12alpha,13E,15R)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]glutamic acid | C25H41NO7

N-[(8β,12α,13E,15R)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]glutamic acid

  • Molecular FormulaC25H41NO7
  • Average mass467.595 Da
  • Monoisotopic mass467.288300 Da
  • ChemSpider ID113598577

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Acide N-[(8β,12α,13E,15R)-15-hydroxy-1,9-dioxoprost-13-én-1-yl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[(8β,12α,13E,15R)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]- [ACD/Index Name]
N-[(8β,12α,13E,15R)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]glutamic acid [ACD/IUPAC Name]
N-[(8β,12α,13E,15R)-15-Hydroxy-1,9-dioxoprost-13-en-1-yl]glutaminsäure [German] [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: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 399.7±3.0 cm3

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