ChemSpider 2D Image | 4,6,9,10-Tetrahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tetrahydro-5H-indeno[1,2-a]anthracene-5,13(8H)-dione | C30H22O9

4,6,9,10-Tetrahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tetrahydro-5H-indeno[1,2-a]anthracene-5,13(8H)-dione

  • Molecular FormulaC30H22O9
  • Average mass526.490 Da
  • Monoisotopic mass526.126404 Da
  • ChemSpider ID387595

More details:

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

4,6,9,10-Tetrahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tetrahydro-5H-indeno[1,2-a]anthracen-5,13(8H)-dion [German] [ACD/IUPAC Name]
4,6,9,10-Tetrahydroxy-8a-(4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tetrahydro-5H-indeno[1,2-a]anthracene-5,13(8H)-dione [ACD/IUPAC Name]
4,6,9,10-Tétrahydroxy-8a-(4-hydroxy-6-méthyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-8a,9,10,12a-tétrahydro-5H-indéno[1,2-a]anthracène-5,13(8H)-dione [French] [ACD/IUPAC Name]
5H-Indeno[1,2-a]anthracene-5,13(8H)-dione, 8a-(1,3-dihydro-4-hydroxy-6-methyl-3-oxo-1-isobenzofuranyl)-8a,9,10,12a-tetrahydro-4,6,9,10-tetrahydroxy- [ACD/Index Name]
Rubellin C

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

AIDS133630 [DBID]
AIDS-133630 [DBID]
NSC629721 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 843.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 286.1±27.8 °C
Index of Refraction: 1.801
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5666.41
ACD/KOC (pH 5.5): 16127.61
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 161.63
ACD/KOC (pH 7.4): 460.02
Polar Surface Area: 162 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 101.4±3.0 dyne/cm
Molar Volume: 313.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement