ChemSpider 2D Image | L-gamma-Glutamyl-S-[(5Z,9alpha,12E,14Z)-1-hydroxy-1,11-dioxoprosta-5,12,14-trien-9-yl]cysteinylglycine | C30H45N3O9S

L-γ-Glutamyl-S-[(5Z,9α,12E,14Z)-1-hydroxy-1,11-dioxoprosta-5,12,14-trien-9-yl]cysteinylglycine

  • Molecular FormulaC30H45N3O9S
  • Average mass623.758 Da
  • Monoisotopic mass623.287659 Da
  • ChemSpider ID68025560

  • 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

Glycine, L-γ-glutamyl-S-[(5Z,9α,12E,14Z)-1-hydroxy-1,11-dioxoprosta-5,12,14-trien-9-yl]cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(5Z,9α,12E,14Z)-1-hydroxy-1,11-dioxoprosta-5,12,14-trien-9-yl]cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(5Z,9α,12E,14Z)-1-hydroxy-1,11-dioxoprosta-5,12,14-trien-9-yl]cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(5Z,9α,12E,14Z)-1-hydroxy-1,11-dioxoprosta-5,12,14-trién-9-yl]cystéinylglycine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 963.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.1±6.0 kJ/mol
Flash Point: 536.6±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 487.3±5.0 cm3

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