ChemSpider 2D Image | (4S,4aS,5aR,12aS)-7-{Bis[(~2~H_3_)methyl]amino}-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide | C23H21D6N3O7

(4S,4aS,5aR,12aS)-7-{Bis[(2H3)methyl]amino}-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC23H21D6N3O7
  • Average mass463.513 Da
  • Monoisotopic mass463.222565 Da
  • ChemSpider ID48060451

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aS,5aR,12aS)-7-{Bis[(2H3)methyl]amino}-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-7-{Bis[(2H3)methyl]amino}-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-7-{Bis[(2H3)méthyl]amino}-4-(diméthylamino)-3,10,12,12a-tétrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-(dimethylamino)-7-(dimethyl-d3-amino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)- [ACD/Index Name]
1036070-10-6 [RN]
minocycline-d6

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

    Density: 1.6±0.1 g/cm3
    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: 1.718
    Molar Refractivity: 116.0±0.4 cm3
    #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: 165 Å2
    Polarizability: 46.0±0.5 10-24cm3
    Surface Tension: 90.0±5.0 dyne/cm
    Molar Volume: 294.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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