ChemSpider 2D Image | Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanoate | C26H34N2O13

Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanoate

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID9310757

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5R,6R)-3,4,5-triacétoxy-6-(acétoxyméthyl)tétrahydro-2H-pyran-2-yl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanoate [ACD/IUPAC Name]
Methyl-(2S)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanoat [German] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[(2S)-3-methoxy-3-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]-, 2,3,4,6-tetraacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.16
ACD/KOC (pH 5.5): 460.69
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.77
ACD/KOC (pH 7.4): 468.24
Polar Surface Area: 191 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 439.1±5.0 cm3

Click to predict properties on the Chemicalize site


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