ChemSpider 2D Image | (4S,4aS,5aR,12aS)-9-[[2-(tert-butylamino)-1-oxoethyl]amino]-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide | C29H39N5O8

(4S,4aS,5aR,12aS)-9-[[2-(tert-butylamino)-1-oxoethyl]amino]-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

  • Molecular FormulaC29H39N5O8
  • Average mass585.649 Da
  • Monoisotopic mass585.279846 Da
  • ChemSpider ID58159297

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12a-dihydroxy-9-{[N-(2-methyl-2-propanyl)glycyl]amino}-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12a-dihydroxy-9-{[N-(2-methyl-2-propanyl)glycyl]amino}-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(diméthylamino)-10,12a-dihydroxy-9-{[N-(2-méthyl-2-propanyl)glycyl]amino}-1,3,11,12-tétraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodécahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-9-[[2-(tert-butylamino)-1-oxoethyl]amino]-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[2-[(1,1-dimethylethyl)amino]acetyl]amino]-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-10,12a-dihydroxy-1,3,11,12-tetraoxo-, (4S,4aS,5aR,12aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 920.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 510.2±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 416.8±5.0 cm3

Click to predict properties on the Chemicalize site


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