ChemSpider 2D Image | [7-Chloro-4-(dimethylammonio)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene][(hydroxymethyl)ammonio]methanolate | C23H26ClN2O9

[7-Chloro-4-(dimethylammonio)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene][(hydroxymethyl)ammonio]methanolate

  • Molecular FormulaC23H26ClN2O9
  • Average mass509.913 Da
  • Monoisotopic mass509.132141 Da
  • ChemSpider ID21240234

  • Charge - Charge

More details:

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

[7-Chlor-4-(dimethylammonio)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenyliden][(hydroxymethyl)ammonio]methanolat [German] [ACD/IUPAC Name]
[7-Chloro-4-(dimethylammonio)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene][(hydroxymethyl)ammonio]methanolate [ACD/IUPAC Name]
[7-Chloro-4-(diméthylammonio)-6,10,11,12a-tétrahydroxy-6-méthyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tétracénylidène][(hydroxyméthyl)ammonio]méthanolate [French] [ACD/IUPAC Name]
1,3,12(2H,4H,5H)-Naphthacenetrione, 7-chloro-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-6,10,11,12a-tetrahydroxy-2-[hydroxy[(hydroxymethyl)amino]methylene]-6-methyl-, inner salt, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point: 739.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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