ChemSpider 2D Image | (1S,4aR,11S,11aS,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,12-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate | C22H24N2O8

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

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID32790391
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1S,4aR,11S,11aS,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,12-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolat [German] [ACD/IUPAC Name]
(1S,4aR,11S,11aS,12R,12aR)-3-Carbamoyl-1-(dimethylammonio)-4a,5,7,12-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate [ACD/IUPAC Name]
(1S,4aR,11S,11aS,12R,12aR)-3-Carbamoyl-1-(diméthylammonio)-4a,5,7,12-tétrahydroxy-11-méthyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tétracénolate [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5R,5aS,6S,12aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 762.6±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: 415.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement