ChemSpider 2D Image | alpha-Aspartyl-L-seryl-L-histidyl-L-cysteine | C16H24N6O8S

α-Aspartyl-L-seryl-L-histidyl-L-cysteine

  • Molecular FormulaC16H24N6O8S
  • Average mass460.462 Da
  • Monoisotopic mass460.137634 Da
  • ChemSpider ID57489067

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Cysteine, α-aspartyl-L-seryl-L-histidyl- [ACD/Index Name]
α-Asparagyl-L-seryl-L-histidyl-L-cystein [German] [ACD/IUPAC Name]
α-Aspartyl-L-seryl-L-histidyl-L-cysteine [ACD/IUPAC Name]
α-Aspartyl-L-séryl-L-histidyl-L-cystéine [French] [ACD/IUPAC Name]
(3S)-3-AMINO-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-CARBOXY-2-SULFANYLETHYL]CARBAMOYL}-2-(3H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}PROPANOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1088.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.4±3.0 kJ/mol
Flash Point: 612.2±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement