ChemSpider 2D Image | (1S,4aS,11aR,12aS)-3-Carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2,5-tetracenediolate | C23H26N3O7

(1S,4aS,11aR,12aS)-3-Carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2,5-tetracenediolate

  • Molecular FormulaC23H26N3O7
  • Average mass456.469 Da
  • Monoisotopic mass456.177612 Da
  • ChemSpider ID28533540

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4aS,11aR,12aS)-3-Carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2,5-tetracendiolat [German] [ACD/IUPAC Name]
(1S,4aS,11aR,12aS)-3-Carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2,5-tetracenediolate [ACD/IUPAC Name]
(1S,4aS,11aR,12aS)-3-Carbamoyl-10-(diméthylamino)-1-(diméthylammonio)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydro-2,5-tétracènediolate [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, inner salt, ion(1-), (4S,4aS,5aR,12aS)- [ACD/Index Name]
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
minocycline anion
minocycline(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group. ChEBI CHEBI:71337

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

Density:
Boiling Point: 803.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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