ChemSpider 2D Image | Benzyl (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}butanoate | C33H39NO14

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

  • Molecular FormulaC33H39NO14
  • Average mass673.661 Da
  • Monoisotopic mass673.237061 Da
  • ChemSpider ID17228915

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R)-2-{[(Benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-triacétoxy-6-(acétoxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}butanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}butanoate [ACD/IUPAC Name]
Benzyl-(2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}butanoat [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (1R,2S)-1-methyl-3-oxo-3-(phenylmethoxy)-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: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1232.96
ACD/KOC (pH 5.5): 5676.72
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1231.81
ACD/KOC (pH 7.4): 5671.46
Polar Surface Area: 188 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 512.2±5.0 cm3

Click to predict properties on the Chemicalize site


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