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Search term: UECHIQHWRMWQKC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,1',6,8,8'-Pentahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone | C30H18O9

1,1',6,8,8'-Pentahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC30H18O9
  • Average mass522.458 Da
  • Monoisotopic mass522.095093 Da
  • ChemSpider ID23329110

More details:

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

[2,2'-Bianthracene]-9,9',10,10'-tetrone, 1,1',6,8,8'-pentahydroxy-3,3'-dimethyl- [ACD/Index Name]
1,1',6,8,8'-Pentahydroxy-3,3'-dimethyl-2,2'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
1,1',6,8,8'-Pentahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
1,1',6,8,8'-Pentahydroxy-3,3'-diméthyl-2,2'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
1,6,8,1',8'-Pentahydroxy-3,3'-dimethyl-[2,2']bianthracenyl-9,10,9',10'-tetraone
1828-75-7 [RN]
CASSIAMIN A
CASSIAMINA
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460263/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 846.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 479.8±30.8 °C
Index of Refraction: 1.788
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 25683.47
ACD/KOC (pH 5.5): 30789.72
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 169 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 92.8±3.0 dyne/cm
Molar Volume: 318.7±3.0 cm3

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