ChemSpider 2D Image | N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]alanine | C8H14N2O5S

N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]alanine

  • Molecular FormulaC8H14N2O5S
  • Average mass250.272 Da
  • Monoisotopic mass250.062347 Da
  • ChemSpider ID56046829

More details:

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

Alanine, N-acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]- [ACD/Index Name]
N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]alanin [German] [ACD/IUPAC Name]
N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]alanine [ACD/IUPAC Name]
N-Acétyl-3-[(3-amino-3-oxopropyl)sulfinyl]alanine [French] [ACD/IUPAC Name]
861959-88-8 [RN]
N-Acetyl-3-[(3-amino-3-oxopropyl)sulfinyl]-L-alanine [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 760.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.92
ACD/LogD (pH 5.5): -5.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 76.2±3.0 dyne/cm
Molar Volume: 171.8±3.0 cm3

Click to predict properties on the Chemicalize site


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