ChemSpider 2D Image | Norbergenin | C13H14O9

Norbergenin

  • Molecular FormulaC13H14O9
  • Average mass314.245 Da
  • Monoisotopic mass314.063782 Da
  • ChemSpider ID24736317

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S,4aR,10bS)-3,4,8,9,10-Pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-on [German] [ACD/IUPAC Name]
(2R,3S,4S,4aR,10bS)-3,4,8,9,10-Pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one [ACD/IUPAC Name]
(2R,3S,4S,4aR,10bS)-3,4,8,9,10-Pentahydroxy-2-(hydroxyméthyl)-3,4,4a,10b-tétrahydropyrano[3,2-c]isochromén-6(2H)-one [French] [ACD/IUPAC Name]
79595-97-4 [RN]
Norbergenin [Wiki]
Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R,3S,4S,4aR,10bS)- [ACD/Index Name]

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

Density: 1.8±0.0 g/cm3
Boiling Point: 705.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 108.4±0.0 kJ/mol
Flash Point: 271.9±0.0 °C
Index of Refraction: 1.716
Molar Refractivity: 68.7±0.0 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 35.99
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.40
Polar Surface Area: 157 Å2
Polarizability: 27.2±0.0 10-24cm3
Surface Tension: 102.5±0.0 dyne/cm
Molar Volume: 174.7±0.0 cm3

Click to predict properties on the Chemicalize site


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