ChemSpider 2D Image | griseusin E | C23H24O11

griseusin E

  • Molecular FormulaC23H24O11
  • Average mass476.430 Da
  • Monoisotopic mass476.131866 Da
  • ChemSpider ID58826671
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

griseusin E
Methyl [(1S,3S,3'S,4S,4'S,6'S)-4'-acetoxy-3',4,9-trihydroxy-6'-methyl-5,10-dioxo-3,3',4,4',5,5',6',10-octahydrospiro[benzo[g]isochromene-1,2'-pyran]-3-yl]acetate [ACD/IUPAC Name]
Spiro[1H-naphtho[2,3-c]pyran-1,2'-[2H]pyran]-3-acetic acid, 4'-(acetyloxy)-3,3',4,4',5,5',6',10-octahydro-3',4,9-trihydroxy-6'-methyl-5,10-dioxo-, methyl ester, (1S,3S,3'S,4S,4'S,6'S)- [ACD/Index Name]
(2S,9S,10S,3'S,4'S,6'S)-griseusin E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 247.4±26.4 °C
Index of Refraction: 1.631
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 199.33
ACD/KOC (pH 5.5): 1503.42
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 26.92
ACD/KOC (pH 7.4): 203.05
Polar Surface Area: 166 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 310.7±5.0 cm3

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