ChemSpider 2D Image | S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione | C19H26N4O10S

S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione

  • Molecular FormulaC19H26N4O10S
  • Average mass502.496 Da
  • Monoisotopic mass502.136963 Da
  • ChemSpider ID150303

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

67881-51-0 [RN]
Glycine, L-γ-glutamyl-S-[2-hydroxy-3-(4-nitrophenoxy)propyl]-L-cysteinyl- [ACD/Index Name]
Glycine, N-[N-L-γ-glutamyl-S-[2-hydroxy-3-(4-nitrophenoxy)propyl]-L-cysteinyl]-
L-γ-Glutamyl-S-[2-hydroxy-3-(4-nitrophenoxy)propyl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[2-hydroxy-3-(4-nitrophenoxy)propyl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[2-hydroxy-3-(4-nitrophénoxy)propyl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione
(2S)-2-AMINO-4-{[(1R)-1-(CARBOXYMETHYLCARBAMOYL)-2-{[2-HYDROXY-3-(4-NITROPHENOXY)PROPYL]SULFANYL}ETHYL]CARBAMOYL}BUTANOIC ACID
1-(4-Nitrophenoxy)-3-(S-glutathionyl)-2-propanol
1-Npgp
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 976.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.1±3.0 kJ/mol
Flash Point: 544.4±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 340.8±3.0 cm3

Click to predict properties on the Chemicalize site


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