ChemSpider 2D Image | L-gamma-Glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydro-9-phenanthrenyl]-L-cysteinylglycine | C24H27N3O7S

L-γ-Glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydro-9-phenanthrenyl]-L-cysteinylglycine

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID392389
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Glycine, L-γ-glutamyl-S-[(9S,10S)-9,10-dihydro-10-hydroxy-9-phenanthrenyl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydro-9-phenanthrenyl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydro-9-phenanthrenyl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydro-9-phénanthrényl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(9s,10s)-10-Hydroxy-9,10-Dihydrophenanthren-9-Yl]-L-Cysteinylglycine
(9S,10S)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
GPS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 942.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 523.6±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 340.3±5.0 cm3

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