ChemSpider 2D Image | (4S,4aS,5aR,12aS)-7-(Dimethylamino)-3,10,12,12a-tetrahydroxy-4-{methyl[(~13~C)methyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid | C2213CH27N3O7

(4S,4aS,5aR,12aS)-7-(Dimethylamino)-3,10,12,12a-tetrahydroxy-4-{methyl[(13C)methyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid

  • Molecular FormulaC2213CH27N3O7
  • Average mass458.469 Da
  • Monoisotopic mass458.188263 Da
  • ChemSpider ID57267574

  • 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-(Dimethylamino)-3,10,12,12a-tetrahydroxy-4-{methyl[(13C)methyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-7-(Dimethylamino)-3,10,12,12a-tetrahydroxy-4-{methyl[(13C)methyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid [ACD/IUPAC Name]
2-Naphthacenecarboximidic acid, 7-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-4-(methylmethyl-13C-amino)-1,11-dioxo-, (4S,4aS,5aR,12aS)- [ACD/Index Name]
Acide (4S,4aS,5aR,12aS)-7-(diméthylamino)-3,10,12,12a-tétrahydroxy-4-{méthyl[(13C)méthyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboximidique [French] [ACD/IUPAC Name]
MINOCYCLINE-13C-D3

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 289.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement