ChemSpider 2D Image | S-[3-Hydroxy(~2~H_6_)propyl]-D-cysteine | C6H7D6NO3S

S-[3-Hydroxy(2H6)propyl]-D-cysteine

  • Molecular FormulaC6H7D6NO3S
  • Average mass185.274 Da
  • Monoisotopic mass185.099274 Da
  • ChemSpider ID111314072

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

D-Cysteine, S-(3-hydroxypropyl-1,1,2,2,3,3-d6)- [ACD/Index Name]
S-[3-Hydroxy(2H6)propyl]-D-cystein [German] [ACD/IUPAC Name]
S-[3-Hydroxy(2H6)propyl]-D-cysteine [ACD/IUPAC Name]
S-[3-Hydroxy(2H6)propyl]-D-cystéine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 354.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 168.2±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 137.7±3.0 cm3

Click to predict properties on the Chemicalize site


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