ChemSpider 2D Image | L-gamma-Glutamyl-S-[(4S,5R,6E,8E,10Z)-1-carboxy-4-hydroxy-6,8,10-nonadecatrien-13-yn-5-yl]-L-cysteinylglycine | C30H45N3O9S

L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z)-1-carboxy-4-hydroxy-6,8,10-nonadecatrien-13-yn-5-yl]-L-cysteinylglycine

  • Molecular FormulaC30H45N3O9S
  • Average mass623.758 Da
  • Monoisotopic mass623.287659 Da
  • ChemSpider ID25031491

  • Double-bond stereo - Double-bond stereo

    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-[(1R,2E,4E,6Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6-pentadecatrien-9-yn-1-yl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z)-1-carboxy-4-hydroxy-6,8,10-nonadecatrien-13-in-5-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z)-1-carboxy-4-hydroxy-6,8,10-nonadecatrien-13-yn-5-yl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z)-1-carboxy-4-hydroxy-6,8,10-nonadécatrién-13-yn-5-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 962.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.9±6.0 kJ/mol
Flash Point: 535.7±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 164.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 500.3±3.0 cm3

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