ChemSpider 2D Image | N-[(4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-{[(2S,3R,4S,6R)-4-hydroxy-6-methyl-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-2-yl]methyl}-2,2-dimethylhexa hydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide | C32H49NO11

N-[(4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-{[(2S,3R,4S,6R)-4-hydroxy-6-methyl-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-2-yl]methyl}-2,2-dimethylhexa hydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

  • Molecular FormulaC32H49NO11
  • Average mass623.732 Da
  • Monoisotopic mass623.330566 Da
  • ChemSpider ID8779330

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

N-[(4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-{[(2S,3R,4S,6R)-4-hydroxy-6-methyl-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-2-yl]methyl}-2,2-dimethylhexa hydropyrano[3,2-d][1,3]dioxin-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-{[(2S,3R,4S,6R)-4-hydroxy-6-methyl-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methyl}tetrahydro-2H-pyran-2-yl]methyl}-2,2-dimethylhexa hydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide [ACD/IUPAC Name]
N-[(4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-{[(2S,3R,4S,6R)-4-hydroxy-6-méthyl-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]méthyl}tétrahydro-2H-pyran-2-yl]méthyl}-2,2-diméthylhexa hydropyrano[3,2-d][1,3]dioxin-7-yl]acétamide [French] [ACD/IUPAC 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: 805.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.8±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.91
ACD/KOC (pH 5.5): 179.77
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.91
ACD/KOC (pH 7.4): 179.77
Polar Surface Area: 165 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 476.0±5.0 cm3

Click to predict properties on the Chemicalize site


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