ChemSpider 2D Image | (4R,4aS,5aS,6S,12aR)-4-Amino-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide | C20H20N2O8

(4R,4aS,5aS,6S,12aR)-4-Amino-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC20H20N2O8
  • Average mass416.381 Da
  • Monoisotopic mass416.121979 Da
  • ChemSpider ID57546512

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,4aS,5aS,6S,12aR)-4-Amino-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4R,4aS,5aS,6S,12aR)-4-Amino-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4R,4aS,5aS,6S,12aR)-4-Amino-1,6,10,11,12a-pentahydroxy-6-méthyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-amino-3,4,4a,5,5a,6,12,12a-octahydro-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-, (4R,4aS,5aS,6S,12aR)- [ACD/Index Name]
(4R,4aS,5aS,6S,12aR)-4-Amino-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
53864-51-0 [RN]
N-Des(dimethyl)-4-epi-tetracycline

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

Density: 1.8±0.1 g/cm3
Boiling Point: 778.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.6±32.9 °C
Index of Refraction: 1.789
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 9
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 120.4±5.0 dyne/cm
Molar Volume: 235.3±5.0 cm3

Click to predict properties on the Chemicalize site


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