ChemSpider 2D Image | (11bR)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6,10(1H,11bH)-trione | C22H16O7

(11bR)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6,10(1H,11bH)-trione

  • Molecular FormulaC22H16O7
  • Average mass392.358 Da
  • Monoisotopic mass392.089600 Da
  • ChemSpider ID59701702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11bR)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyren-2,6,10(1H,11bH)-trion [German] [ACD/IUPAC Name]
(11bR)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6,10(1H,11bH)-trione [ACD/IUPAC Name]
(11bR)-3,5,7,11b-Tétrahydroxy-1,1,9-triméthyl-2H-benzo[cd]pyrène-2,6,10(1H,11bH)-trione [French] [ACD/IUPAC Name]
2H-Benzo[cd]pyrene-2,6,10(1H,11bH)-trione, 3,5,7,11b-tetrahydroxy-1,1,9-trimethyl-, (11bR)- [ACD/Index Name]
(R)-resistoflavin
29706-96-5 [RN]
resistoflavine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 762.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 428.6±29.4 °C
Index of Refraction: 1.805
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 45.01
ACD/KOC (pH 5.5): 175.51
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 108.9±5.0 dyne/cm
Molar Volume: 227.6±5.0 cm3

Click to predict properties on the Chemicalize site


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