ChemSpider 2D Image | 6-EPIDOXYCYCLINE | C22H24N2O8

6-EPIDOXYCYCLINE

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID32701720

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6S,12aS)-4-(Diméthylamino)-3,5,10,12,12a-pentahydroxy-6-méthyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [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,5S,5aR,6S,12aS)- [ACD/Index Name]
3219-99-6 [RN]
6-EPIDOXYCYCLINE
18325-74-1 [RN]
6-EPI DOXYCYCLINE
epi-Doxycycline
MFCD18252472

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

YK3J80P304 [DBID]
UNII:YK3J80P304 [DBID]
UNII-YK3J80P304 [DBID]

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

    Density: 1.6±0.1 g/cm3
    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: 1.737
    Molar Refractivity: 109.0±0.4 cm3
    #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: 182 Å2
    Polarizability: 43.2±0.5 10-24cm3
    Surface Tension: 99.2±5.0 dyne/cm
    Molar Volume: 271.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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