ChemSpider 2D Image | (4S,4aR,5S,5aR,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid | C22H24N2O8

(4S,4aR,5S,5aR,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID34980843

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aR,5S,5aR,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid [ACD/IUPAC Name]
2-Naphthacenecarboximidic acid, 4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-, (4S,4aR,5S,5aR,6R,12aR)- [ACD/Index Name]
Acide (4S,4aR,5S,5aR,6R,12aR)-4-(diméthylamino)-1,5,10,11,12a-pentahydroxy-6-méthyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboximidique [French] [ACD/IUPAC Name]
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
10597-92-9 [RN]
24390-14-5 [RN]
564-25-0 [RN]
BMY-28689
BMY-28689|Monodox®|Vibramycin®
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 708.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.2±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 73.3±7.0 dyne/cm
Molar Volume: 261.0±7.0 cm3

Click to predict properties on the Chemicalize site


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