ChemSpider 2D Image | griseusin G | C23H22O10

griseusin G

  • Molecular FormulaC23H22O10
  • Average mass458.415 Da
  • Monoisotopic mass458.121307 Da
  • ChemSpider ID28642491

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3'R,3aR,5R,5aS,6'R,11aS,11bR)-3',7-Dihydroxy-6'-methyl-11a-(2-oxopropyl)-3a,5',5a,6',11a,11b-hexahydrospiro[benzo[g]furo[3,2-c]isochromene-5,2'-pyran]-2,4',6,11(3H,3'H)-tetrone [ACD/IUPAC Name]
griseusin G
Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,4',6,11(3'H,3H)-tetrone, 3a,5',5a,6',11a,11b-hexahydro-3',7-dihydroxy-6'-methyl-11a-(2-oxopropyl)-, (3'R,3aR,5R,5aS,6'R,11aS,11bR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 802.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 281.7±27.8 °C
Index of Refraction: 1.644
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 106.78
ACD/KOC (pH 5.5): 968.09
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 18.70
ACD/KOC (pH 7.4): 169.54
Polar Surface Area: 154 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 292.8±5.0 cm3

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