ChemSpider 2D Image | L-gamma-Glutamyl-S-[(3S,4R)-1,4-dihydroxy-3-nonanyl]-L-cysteinylglycine | C19H35N3O8S

L-γ-Glutamyl-S-[(3S,4R)-1,4-dihydroxy-3-nonanyl]-L-cysteinylglycine

  • Molecular FormulaC19H35N3O8S
  • Average mass465.561 Da
  • Monoisotopic mass465.214478 Da
  • ChemSpider ID25061175

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
Glycine, L-γ-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(3S,4R)-1,4-dihydroxy-3-nonanyl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(3S,4R)-1,4-dihydroxy-3-nonanyl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(3S,4R)-1,4-dihydroxy-3-nonanyl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
BOB

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.9±6.0 kJ/mol
Flash Point: 462.1±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 357.5±3.0 cm3

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