Found 2 results

Search term: BMNYYLNOCTUKIY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R)-1,3,5,7,10-Pentahydroxy-1,9-dimethyl-2H-benzo[cd]pyrene-2,6(1H)-dione | C21H14O7

(1R)-1,3,5,7,10-Pentahydroxy-1,9-dimethyl-2H-benzo[cd]pyrene-2,6(1H)-dione

  • Molecular FormulaC21H14O7
  • Average mass378.332 Da
  • Monoisotopic mass378.073944 Da
  • ChemSpider ID59702527

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1,3,5,7,10-Pentahydroxy-1,9-dimethyl-2H-benzo[cd]pyren-2,6(1H)-dion [German] [ACD/IUPAC Name]
(1R)-1,3,5,7,10-Pentahydroxy-1,9-dimethyl-2H-benzo[cd]pyrene-2,6(1H)-dione [ACD/IUPAC Name]
(1R)-1,3,5,7,10-Pentahydroxy-1,9-diméthyl-2H-benzo[cd]pyrène-2,6(1H)-dione [French] [ACD/IUPAC Name]
2H-Benzo[cd]pyrene-2,6(1H)-dione, 1,3,5,7,10-pentahydroxy-1,9-dimethyl-, (1R)- [ACD/Index Name]
E'AGN-PC-00DRET'

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

Density: 1.8±0.1 g/cm3
Boiling Point: 839.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 475.3±30.8 °C
Index of Refraction: 1.891
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 96.47
ACD/KOC (pH 5.5): 325.18
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 117.9±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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