ChemSpider 2D Image | (5S,5aS,6aS,7S,10aS)-9-Carbamoyl-4-chloro-7-(dimethylammonio)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-1,8-tetracenediolate | C22H22ClN2O8

(5S,5aS,6aS,7S,10aS)-9-Carbamoyl-4-chloro-7-(dimethylammonio)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-1,8-tetracenediolate

  • Molecular FormulaC22H22ClN2O8
  • Average mass477.872 Da
  • Monoisotopic mass477.107025 Da
  • ChemSpider ID58827248

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,5aS,6aS,7S,10aS)-9-Carbamoyl-4-chlor-7-(dimethylammonio)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-1,8-tetracendiolat [German] [ACD/IUPAC Name]
(5S,5aS,6aS,7S,10aS)-9-Carbamoyl-4-chloro-7-(dimethylammonio)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-1,8-tetracenediolate [ACD/IUPAC Name]
(5S,5aS,6aS,7S,10aS)-9-Carbamoyl-4-chloro-7-(diméthylammonio)-5,10a,11-trihydroxy-5-méthyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydro-1,8-tétracènediolate [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, inner salt, ion(1-), (4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
7-Chlorotetracycline
chlortetracycline(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:133598

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: 188 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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