ChemSpider 2D Image | AFLAVARIN | C24H22O9

AFLAVARIN

  • Molecular FormulaC24H22O9
  • Average mass454.426 Da
  • Monoisotopic mass454.126373 Da
  • ChemSpider ID24698832

More details:

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

[3,8'-Bi-2H-1-benzopyran]-2,2'-dione, 5-(hydroxymethyl)-4,4',7,7'-tetramethoxy-5'-methyl- [ACD/Index Name]
144429-67-4 [RN]
5-(Hydroxymethyl)-4,4',7,7'-tetramethoxy-5'-methyl-2H,2'H-3,8'-bichromen-2,2'-dion [German] [ACD/IUPAC Name]
5-(Hydroxymethyl)-4,4',7,7'-tetramethoxy-5'-methyl-2H,2'H-3,8'-bichromene-2,2'-dione [ACD/IUPAC Name]
5-(Hydroxyméthyl)-4,4',7,7'-tétraméthoxy-5'-méthyl-2H,2'H-3,8'-bichromène-2,2'-dione [French] [ACD/IUPAC Name]
84KX0BAN56
AFLAVARIN
UNII:84KX0BAN56
8-[5-(hydroxymethyl)-4,7-dimethoxy-2-oxochromen-3-yl]-4,7-dimethoxy-5-methylchromen-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477908/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 264.1±26.4 °C
Index of Refraction: 1.636
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.88
ACD/KOC (pH 5.5): 603.95
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.88
ACD/KOC (pH 7.4): 603.95
Polar Surface Area: 110 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

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