ChemSpider 2D Image | (2S)-2-Amino-4-[hydroxy(nitroso)amino]butanoic acid | C4H9N3O4

(2S)-2-Amino-4-[hydroxy(nitroso)amino]butanoic acid

  • Molecular FormulaC4H9N3O4
  • Average mass163.132 Da
  • Monoisotopic mass163.059311 Da
  • ChemSpider ID59701199

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-[hydroxy(nitroso)amino]butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[hydroxy(nitroso)amino]butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-[hydroxy(nitroso)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-(hydroxynitrosoamino)-, (2S)- [ACD/Index Name]
114707-36-7 [RN]
Homoalanosine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 385.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 186.7±30.7 °C
Index of Refraction: 1.593
Molar Refractivity: 33.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 78.5±7.0 dyne/cm
Molar Volume: 98.3±7.0 cm3

Click to predict properties on the Chemicalize site


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