ChemSpider 2D Image | (1S,4aR,11S,11aR,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate | C22H24N2O9

(1S,4aR,11S,11aR,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate

  • Molecular FormulaC22H24N2O9
  • Average mass460.434 Da
  • Monoisotopic mass460.148193 Da
  • ChemSpider ID62374084

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4aR,11S,11aR,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolat [German] [ACD/IUPAC Name]
(1S,4aR,11S,11aR,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate [ACD/IUPAC Name]
(1S,4aR,11S,11aR,12R,12aR)-3-Carbamoyl-1-(diméthylammonio)-4a,5,7,11,12-pentahydroxy-11-méthyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tétracénolate [French] [ACD/IUPAC Name]
1-Naphthacenaminium, 3-(aminocarbonyl)-1,4,4a,6,11,11a,12,12a-octahydro-2,4a,5,7,11,12-hexahydroxy-N,N,11-trimethyl-4,6-dioxo-, inner salt, (1S,4aR,11S,11aR,12R,12aR)- [ACD/Index Name]

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

Density:
Boiling Point: 839.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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