Found 1 result

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

ChemSpider 2D Image | 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl benzoate | C27H32O9

1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl benzoate

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID290582

More details:

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

1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl benzoate [ACD/IUPAC Name]
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicrasan-15-yle [French] [ACD/IUPAC Name]
Picrasane-2,16-dione, 15-(benzoyloxy)-11,20-epoxy-1,11,12-trihydroxy- [ACD/Index Name]

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

NSC305725 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 712.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 239.4±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.61
ACD/KOC (pH 5.5): 134.52
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 134.51
Polar Surface Area: 140 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 345.8±5.0 cm3

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