ChemSpider 2D Image | (1aR,10aR)-4,5,10-Trihydroxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione | C18H12O6

(1aR,10aR)-4,5,10-Trihydroxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione

  • Molecular FormulaC18H12O6
  • Average mass324.284 Da
  • Monoisotopic mass324.063385 Da
  • ChemSpider ID59701818

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1aR,10aR)-4,5,10-Trihydroxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-2,9-dion [German] [ACD/IUPAC Name]
(1aR,10aR)-4,5,10-Trihydroxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione [ACD/IUPAC Name]
(1aR,10aR)-4,5,10-Trihydroxy-1a-méthyl-10,10a-dihydro-1aH-indéno[1',2':7,8]naphto[2,3-b]oxirène-2,9-dione [French] [ACD/IUPAC Name]
(1aR,10S,10aR)-4,5,10-Trihydroxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-2,9-dion [German] [ACD/IUPAC Name]
(1aR,10S,10aR)-4,5,10-Trihydroxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione [ACD/IUPAC Name]
(1aR,10S,10aR)-4,5,10-Trihydroxy-1a-méthyl-10,10a-dihydro-1aH-indéno[1',2':7,8]naphto[2,3-b]oxirène-2,9-dione [French] [ACD/IUPAC Name]
2H-Indeno[1',2':7,8]naphth[2,3-b]oxirene-2,9(1aH)-dione, 10,10a-dihydro-4,5,10-trihydroxy-1a-methyl-, (1aR,10aR)- [ACD/Index Name]
2H-Indeno[1',2':7,8]naphth[2,3-b]oxirene-2,9(1aH)-dione, 10,10a-dihydro-4,5,10-trihydroxy-1a-methyl-, (1aR,10S,10aR)- [ACD/Index Name]
Fluostatin C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 676.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 257.3±25.0 °C
Index of Refraction: 1.810
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.70
ACD/KOC (pH 5.5): 213.61
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 84.64
Polar Surface Area: 107 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 101.8±3.0 dyne/cm
Molar Volume: 186.6±3.0 cm3

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