ChemSpider 2D Image | (3S,5R)-5-(Hydroxyamino)-3-methyl-L-proline | C6H12N2O3

(3S,5R)-5-(Hydroxyamino)-3-methyl-L-proline

  • Molecular FormulaC6H12N2O3
  • Average mass160.171 Da
  • Monoisotopic mass160.084793 Da
  • ChemSpider ID26329683
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,5R)-5-(Hydroxyamino)-3-methyl-L-prolin [German] [ACD/IUPAC Name]
(3S,5R)-5-(Hydroxyamino)-3-methyl-L-proline [ACD/IUPAC Name]
(3S,5R)-5-(Hydroxyamino)-3-méthyl-L-proline [French] [ACD/IUPAC Name]
5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
L-Proline, 5-(hydroxyamino)-3-methyl-, (3S,5R)- [ACD/Index Name]
(2S,3S,5R)-5-(hydroxyamino)-3-methylpyrrolidine-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 372.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 178.8±30.7 °C
Index of Refraction: 1.554
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 119.1±5.0 cm3

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