ChemSpider 2D Image | 9,9-Dimethyl-5-oxo-1,3,4,5,10,11-hexahydro-2H,9H-benzo[c]pyrano[3,2-g]chromen-7-yl beta-D-mannopyranoside | C24H30O9

9,9-Dimethyl-5-oxo-1,3,4,5,10,11-hexahydro-2H,9H-benzo[c]pyrano[3,2-g]chromen-7-yl β-D-mannopyranoside

  • Molecular FormulaC24H30O9
  • Average mass462.490 Da
  • Monoisotopic mass462.188995 Da
  • ChemSpider ID28822743

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5H,9H-Benzo[d]benzo[1,2-b:5,4-b']dipyran-5-one, 1,2,3,4,10,11-hexahydro-7-(β-D-mannopyranosyloxy)-9,9-dimethyl- [ACD/Index Name]
9,9-Dimethyl-5-oxo-1,3,4,5,10,11-hexahydro-2H,9H-benzo[c]pyrano[3,2-g]chromen-7-yl β-D-mannopyranoside [ACD/IUPAC Name]
9,9-Dimethyl-5-oxo-1,3,4,5,10,11-hexahydro-2H,9H-benzo[c]pyrano[3,2-g]chromen-7-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
β-D-Mannopyranoside de 9,9-diméthyl-5-oxo-1,3,4,5,10,11-hexahydro-2H,9H-benzo[c]pyrano[3,2-g]chromén-7-yle [French] [ACD/IUPAC Name]
9,9-dimethyl-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,10,11-hexahydroisochromeno[4,3-g]chromen-5-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 725.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 249.8±26.4 °C
Index of Refraction: 1.650
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.28
ACD/KOC (pH 5.5): 256.43
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.28
ACD/KOC (pH 7.4): 256.43
Polar Surface Area: 135 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 313.9±5.0 cm3

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