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Search term: BACLASYRJRZXMY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | agathisflavone | C30H18O10


  • Molecular FormulaC30H18O10
  • Average mass538.458 Da
  • Monoisotopic mass538.090027 Da
  • ChemSpider ID4444918

More details:

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

(6,8'-Bi-4H-1-benzopyran)-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
[6,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)- [ACD/Index Name]
28441-98-7 [RN]
5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-6,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-6,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
5,5',7,7'-Tétrahydroxy-2,2'-bis(4-hydroxyphényl)-4H,4'H-6,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]

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

AIDS045999 [DBID]
AIDS-045999 [DBID]
C10017 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 929.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 314.7±27.8 °C
Index of Refraction: 1.793
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 46.71
ACD/KOC (pH 5.5): 324.06
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 93.1±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

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