ChemSpider 2D Image | (3R)-3-Hydroxy-N-methyl-D-asparagine | C5H10N2O4

(3R)-3-Hydroxy-N-methyl-D-asparagine

  • Molecular FormulaC5H10N2O4
  • Average mass162.144 Da
  • Monoisotopic mass162.064056 Da
  • ChemSpider ID24604117
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R)-3-Hydroxy-N-methyl-D-asparagin [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-N-methyl-D-asparagine [ACD/IUPAC Name]
(3R)-3-Hydroxy-N-méthyl-D-asparagine [French] [ACD/IUPAC Name]
D-Asparagine, 3-hydroxy-N-methyl-, (3R)- [ACD/Index Name]
1227750-85-7 [RN]
D-b-hydroxy-g-N-methylasparagine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 113.6±3.0 cm3

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