ChemSpider 2D Image | (2S,3S,4S)-3,6-Dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-benzo[g]chromen-4-yl acetate | C17H16O8

(2S,3S,4S)-3,6-Dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-benzo[g]chromen-4-yl acetate

  • Molecular FormulaC17H16O8
  • Average mass348.304 Da
  • Monoisotopic mass348.084503 Da
  • ChemSpider ID78443111

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4S)-3,6-Dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-benzo[g]chromen-4-yl acetate [ACD/IUPAC Name]
(2S,3S,4S)-3,6-Dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-benzo[g]chromen-4-yl-acetat [German] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 4-(acetyloxy)-3,4-dihydro-3,6-dihydroxy-8-methoxy-2-methyl-, (2S,3S,4S)- [ACD/Index Name]
Acétate de (2S,3S,4S)-3,6-dihydroxy-8-méthoxy-2-méthyl-5,10-dioxo-3,4,5,10-tétrahydro-2H-benzo[g]chromén-4-yle [French] [ACD/IUPAC Name]
Gunacin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 595.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 220.4±23.6 °C
Index of Refraction: 1.626
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 22.43
ACD/KOC (pH 5.5): 308.83
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 25.78
Polar Surface Area: 119 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 230.4±5.0 cm3

Click to predict properties on the Chemicalize site


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