ChemSpider 2D Image | (2S)-4-Amino-4-oxo-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoic acid (non-preferred name) | C10H18N2O8

(2S)-4-Amino-4-oxo-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoic acid (non-preferred name)

  • Molecular FormulaC10H18N2O8
  • Average mass294.259 Da
  • Monoisotopic mass294.106323 Da
  • ChemSpider ID66425003

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-4-Amino-4-oxo-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-4-Amino-4-oxo-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-4-amino-4-oxo-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]amino}butanoïque (non-preferred name) [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[(1S)-3-amino-1-carboxy-3-oxopropyl]- [ACD/Index Name]
??-glucosylasparagine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 99.3±5.0 dyne/cm
Molar Volume: 178.2±5.0 cm3

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