ChemSpider 2D Image | (1S,4aS,11S,11aR,12aS)-3-Carbamoyl-10-chloro-1-(dimethylammonio)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate | C22H23ClN2O8

(1S,4aS,11S,11aR,12aS)-3-Carbamoyl-10-chloro-1-(dimethylammonio)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate

  • Molecular FormulaC22H23ClN2O8
  • Average mass478.880 Da
  • Monoisotopic mass478.114288 Da
  • ChemSpider ID62379926

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4aS,11S,11aR,12aS)-3-Carbamoyl-10-chlor-1-(dimethylammonio)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolat [German] [ACD/IUPAC Name]
(1S,4aS,11S,11aR,12aS)-3-Carbamoyl-10-chloro-1-(dimethylammonio)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tetracenolate [ACD/IUPAC Name]
(1S,4aS,11S,11aR,12aS)-3-Carbamoyl-10-chloro-1-(diméthylammonio)-4a,5,7,11-tétrahydroxy-11-méthyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2-tétracénolate [French] [ACD/IUPAC Name]
1-Naphthacenaminium, 3-(aminocarbonyl)-10-chloro-1,4,4a,6,11,11a,12,12a-octahydro-2,4a,5,7,11-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-, inner salt, (1S,4aS,11S,11aR,12aS)- [ACD/Index Name]

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

Density:
Boiling Point: 821.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 450.4±34.3 °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: -0.53
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
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