ChemSpider 2D Image | L-gamma-Glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine | C30H27N3O9S

L-γ-Glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine

  • Molecular FormulaC30H27N3O9S
  • Average mass605.615 Da
  • Monoisotopic mass605.146790 Da
  • ChemSpider ID4450562

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID
Glycine, L-γ-glutamyl-S-[(9S,10S)-7,8,9,10-tetrahydro-9-hydroxy-7,8-dioxobenzo[a]pyren-10-yl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tétrahydrobenzo[pqr]tétraphén-10-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
GBX
GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1059.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.6±3.0 kJ/mol
Flash Point: 594.7±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 158.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 96.9±5.0 dyne/cm
Molar Volume: 380.0±5.0 cm3

Click to predict properties on the Chemicalize site


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