ChemSpider 2D Image | L-gamma-Glutamyl-S-[(2S)-1-hydroxy-3-(4-nitrophenoxy)-2-propanyl]-L-cysteinylglycine | C19H26N4O10S

L-γ-Glutamyl-S-[(2S)-1-hydroxy-3-(4-nitrophenoxy)-2-propanyl]-L-cysteinylglycine

  • Molecular FormulaC19H26N4O10S
  • Average mass502.496 Da
  • Monoisotopic mass502.136963 Da
  • ChemSpider ID16743963

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-[(1S)-2-hydroxy-1-[(4-nitrophenoxy)methyl]ethyl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(2S)-1-hydroxy-3-(4-nitrophenoxy)-2-propanyl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(2S)-1-hydroxy-3-(4-nitrophenoxy)-2-propanyl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(2S)-1-hydroxy-3-(4-nitrophénoxy)-2-propanyl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE

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

DXA [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 964.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.2±3.0 kJ/mol
Flash Point: 537.4±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: 0.59
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
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

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