ChemSpider 2D Image | 5-Amino-D-isoleucine | C6H14N2O2

5-Amino-D-isoleucine

  • Molecular FormulaC6H14N2O2
  • Average mass146.188 Da
  • Monoisotopic mass146.105530 Da
  • ChemSpider ID26001508
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

5-Amino-D-isoleucine [ACD/IUPAC Name]
(3R)-3-methyl-D-ornithine
(R)-3-Methyl-D-ornithine
3-Methylornithine [Wiki]
5-Amino-D-isoleucin [German] [ACD/IUPAC Name]
5-Amino-D-isoleucine [French] [ACD/IUPAC Name]
D-Ornithine, 3-methyl-, (3R)- [ACD/Index Name]
(2R,3R)-3-methylornithine
MD0
  • Miscellaneous
    • Chemical Class:

      A <stereo>D</stereo>-<locant>alpha</locant>-amino acid that is <stereo>D</stereo>-isoleucine bearing an amino substituent at position 5. ChEBI CHEBI:64693

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

Density: 1.1±0.1 g/cm3
Boiling Point: 303.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 59.8±6.0 kJ/mol
Flash Point: 137.5±25.1 °C
Index of Refraction: 1.501
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 130.3±3.0 cm3

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