ChemSpider 2D Image | N-Acetyl-S-(1-amino-3-hydroxy-1-oxo-2-propanyl)-L-cysteine | C8H14N2O5S

N-Acetyl-S-(1-amino-3-hydroxy-1-oxo-2-propanyl)-L-cysteine

  • Molecular FormulaC8H14N2O5S
  • Average mass250.272 Da
  • Monoisotopic mass250.062347 Da
  • ChemSpider ID58808666

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-[2-amino-1-(hydroxymethyl)-2-oxoethyl]- [ACD/Index Name]
N-Acetyl-S-(1-amino-3-hydroxy-1-oxo-2-propanyl)-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(1-amino-3-hydroxy-1-oxo-2-propanyl)-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(1-amino-3-hydroxy-1-oxo-2-propanyl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-Acetamido-3-((1-amino-3-hydroxy-1-oxopropan-2-yl)thio)propanoic acid
137698-09-0 [RN]
N-Acetyl-S-(1-carbamoyl-2-hydroxyethyl)cysteine
N-acetyl-S-(1-carbamoyl-2-hydroxyethyl)-l-cysteine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 174.2±3.0 cm3

Click to predict properties on the Chemicalize site


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