ChemSpider 2D Image | (5Z)-7-{1-[(5S)-5-Amino-5-carboxypentyl]-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}-5-heptenoic acid | C26H42N2O6

(5Z)-7-{1-[(5S)-5-Amino-5-carboxypentyl]-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}-5-heptenoic acid

  • Molecular FormulaC26H42N2O6
  • Average mass478.621 Da
  • Monoisotopic mass478.304291 Da
  • ChemSpider ID76963256

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5Z)-7-{1-[(5S)-5-Amino-5-carboxypentyl]-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{1-[(5S)-5-Amino-5-carboxypentyl]-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}-5-heptensäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-hexanoic acid, α-amino-3-[(2Z)-6-carboxy-2-hexen-1-yl]-2,5-dihydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-methyl-5-oxo-, (αS)- [ACD/Index Name]
Acide (5Z)-7-{1-[(5S)-5-amino-5-carboxypentyl]-4-[(1E,3S)-3-hydroxy-1-octén-1-yl]-2-méthyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5Z)-7-{1-[(5S)-5-amino-5-carboxypentyl]-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}hept-5-enoic acid
LGE2-lysine
LGE2-lysine adduct
L-lysyl levuloglandin E2 adduct
lysyl LGE2 lactam adduct

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

Density: 1.2±0.1 g/cm3
Boiling Point: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 412.5±3.0 cm3

Click to predict properties on the Chemicalize site


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