ChemSpider 2D Image | gamma-Glutamyl-S-[(5S,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycine | C30H47N3O9S

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

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID23198510

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

glycine, γ-glutamyl-S-[(1S,2E,4E,6Z,9Z)-1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraen-1-yl]-L-cysteinyl- [ACD/Index Name]
γ-Glutamyl-S-[(5S,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
γ-Glutamyl-S-[(5S,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteinylglycine [ACD/IUPAC Name]
γ-Glutamyl-S-[(5S,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadécatétraén-5-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
γ-glutamyl-S-[(5S,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]-L-cysteinylglycine
(7E,9E,11Z,14Z)-(S)-6-[(R)-2-(4-Amino-4-carboxy-butyrylamino)-2-(carboxymethyl-carbamoyl)-ethylsulfanyl]-5-hydroxy-icosa-7,9,11,14-tetraenoic acid

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

Density: 1.2±0.0 g/cm3
Boiling Point: 974.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 160.9±0.0 kJ/mol
Flash Point: 543.1±0.0 °C
Index of Refraction: 1.564
Molar Refractivity: 166.1±0.0 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 65.9±0.0 10-24cm3
Surface Tension: 55.2±0.0 dyne/cm
Molar Volume: 510.6±0.0 cm3

Click to predict properties on the Chemicalize site


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