ChemSpider 2D Image | Dibenzyl [(4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-trihydroxy-2-methyl-4-oxo-4a,5a,6,7,8,9,9a,10a-octahydro-4H-pyrano[2,3-b][1,4]benzodioxine-6,8-diyl]bis(methylcarbamate) | C30H34N2O11

Dibenzyl [(4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-trihydroxy-2-methyl-4-oxo-4a,5a,6,7,8,9,9a,10a-octahydro-4H-pyrano[2,3-b][1,4]benzodioxine-6,8-diyl]bis(methylcarbamate)

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID8501672

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-Trihydroxy-2-méthyl-4-oxo-4a,5a,6,7,8,9,9a,10a-octahydro-4H-pyrano[2,3-b][1,4]benzodioxine-6,8-diyl]bis(méthylcarbamate) de dibenzyle [French] [ACD/IUPAC Name]
Carbamic acid, N,N'-[(4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,5a,6,7,8,9,9a,10a-octahydro-4a,7,9-trihydroxy-2-methyl-4-oxo-4H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl]bis[N-methyl-, phenylmethyl phenylmethyl e ster [ACD/Index Name]
Dibenzyl [(4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-trihydroxy-2-methyl-4-oxo-4a,5a,6,7,8,9,9a,10a-octahydro-4H-pyrano[2,3-b][1,4]benzodioxine-6,8-diyl]bis(methylcarbamate) [ACD/IUPAC Name]
Dibenzyl-[(4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-trihydroxy-2-methyl-4-oxo-4a,5a,6,7,8,9,9a,10a-octahydro-4H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl]bis(methylcarbamat) [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.5±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 389.43
ACD/KOC (pH 5.5): 2487.47
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 371.66
ACD/KOC (pH 7.4): 2373.95
Polar Surface Area: 165 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

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