ChemSpider 2D Image | {[(2R)-2,3-Diamino-3-oxopropyl]sulfanyl}acetic acid | C5H10N2O3S

{[(2R)-2,3-Diamino-3-oxopropyl]sulfanyl}acetic acid

  • Molecular FormulaC5H10N2O3S
  • Average mass178.210 Da
  • Monoisotopic mass178.041214 Da
  • ChemSpider ID19387593

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[(2R)-2,3-Diamino-3-oxopropyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(2R)-2,3-Diamino-3-oxopropyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(2R)-2,3-diamino-3-oxopropyl]thio]- [ACD/Index Name]
Acide {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 449.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 77.7±0.0 kJ/mol
Flash Point: 225.8±0.0 °C
Index of Refraction: 1.586
Molar Refractivity: 41.8±0.0 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 16.6±0.0 10-24cm3
Surface Tension: 73.1±0.0 dyne/cm
Molar Volume: 124.5±0.0 cm3

Click to predict properties on the Chemicalize site


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