ChemSpider 2D Image | S-Hydroperoxycysteine | C3H7NO4S

S-Hydroperoxycysteine

  • Molecular FormulaC3H7NO4S
  • Average mass153.157 Da
  • Monoisotopic mass153.009583 Da
  • ChemSpider ID25057260
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Cysteine, S-hydroperoxy- [ACD/Index Name]
S-Hydroperoxycysteine
S-Hydroperoxy-L-cystein [German] [ACD/IUPAC Name]
S-Hydroperoxy-L-cysteine [ACD/IUPAC Name]
S-Hydroperoxy-L-cystéine [French] [ACD/IUPAC Name]
2CO

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

Density: 1.6±0.1 g/cm3
Boiling Point: 357.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 170.2±30.7 °C
Index of Refraction: 1.598
Molar Refractivity: 32.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 84.5±3.0 dyne/cm
Molar Volume: 94.6±3.0 cm3

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