ChemSpider 2D Image | Methyl (2S)-4-amino-4-oxo-2-{[(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}butanoate | C10H18N2O7

Methyl (2S)-4-amino-4-oxo-2-{[(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}butanoate

  • Molecular FormulaC10H18N2O7
  • Average mass278.259 Da
  • Monoisotopic mass278.111389 Da
  • ChemSpider ID26575596
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(2S)-4-Amino-4-oxo-2-{[(3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]amino}butanoate de méthyle [French] [ACD/IUPAC Name]
D-Xylopyranosylamine, N-[(1S)-3-amino-1-(methoxycarbonyl)-3-oxopropyl]- [ACD/Index Name]
Methyl (2S)-4-amino-4-oxo-2-{[(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}butanoate [ACD/IUPAC Name]
Methyl-(2S)-4-amino-4-oxo-2-{[(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 61.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.25
Polar Surface Area: 151 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 188.9±5.0 cm3

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