ChemSpider 2D Image | BR-xanthone A | C23H24O6

BR-xanthone A

  • Molecular FormulaC23H24O6
  • Average mass396.433 Da
  • Monoisotopic mass396.157288 Da
  • ChemSpider ID23339342

More details:






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

10H-Dipyrano[3,2-a:2',3'-i]xanthen-14(1H)-one, 2,3,11,12-tetrahydro-5,13-dihydroxy-3,3,10,10-tetramethyl- [ACD/Index Name]
112649-48-6 [RN]
5,13-Dihydroxy-3,3,10,10-tetramethyl-2,3,11,12-tetrahydro-10H-dipyrano[3,2-a:2',3'-i]xanthen-14(1H)-on [German] [ACD/IUPAC Name]
5,13-Dihydroxy-3,3,10,10-tetramethyl-2,3,11,12-tetrahydro-10H-dipyrano[3,2-a:2',3'-i]xanthen-14(1H)-one [ACD/IUPAC Name]
5,13-Dihydroxy-3,3,10,10-tétraméthyl-2,3,11,12-tétrahydro-10H-dipyrano[3,2-a:2',3'-i]xanthén-14(1H)-one [French] [ACD/IUPAC Name]
BR-xanthone A
[112649-48-6] [RN]
10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0??,????.0?,?.0???,????]docosa-1(22),3,9,11,14,16(21)-hexaen-2-one
10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3,9,11,14,16(21)-hexaen-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517938/
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 214.3±25.0 °C
Index of Refraction: 1.613
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9452.87
ACD/KOC (pH 5.5): 24097.76
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 1669.09
ACD/KOC (pH 7.4): 4254.94
Polar Surface Area: 85 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 303.0±3.0 cm3

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