ChemSpider 2D Image | S-[(4S,5R,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycine | C25H40N2O6S

S-[(4S,5R,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycine

  • Molecular FormulaC25H40N2O6S
  • Average mass496.660 Da
  • Monoisotopic mass496.260712 Da
  • ChemSpider ID26335027
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

Glycine, S-[(1R,2E,4E,6E,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]cysteinyl- [ACD/Index Name]
S-[(4S,5R,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycin [German] [ACD/IUPAC Name]
S-[(4S,5R,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycine [ACD/IUPAC Name]
S-[(4S,5R,6E,8E,10E,13Z)-1-Carboxy-4-hydroxy-6,8,10,13-nonadécatétraén-5-yl]cystéinylglycine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 785.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.3±6.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.22
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 427.1±3.0 cm3

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