ChemSpider 2D Image | (4S,5S,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-{[(2-hydroxyethyl)sulfanyl]methyl}-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide | C24H28N2O9S

(4S,5S,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-{[(2-hydroxyethyl)sulfanyl]methyl}-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC24H28N2O9S
  • Average mass520.552 Da
  • Monoisotopic mass520.151550 Da
  • ChemSpider ID23204992

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(4S,5S,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-{[(2-hydroxyethyl)sulfanyl]methyl}-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,5S,6R,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-{[(2-hydroxyethyl)sulfanyl]methyl}-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,5S,6R,12aR)-4-(Diméthylamino)-1,5,10,11,12a-pentahydroxy-6-{[(2-hydroxyéthyl)sulfanyl]méthyl}-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-{[(2-hydroxyethyl)sulfanyl]methyl}-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,5,10,11,12a-pentahydroxy-6-[[(2-hydroxyethyl)thio]methyl]-3,12-dioxo-, (4S,5S,6R,12aR)- [ACD/Index Name]
4-Dimethylamino-3,5,10,12,12a-pentahydroxy-6-(2-hydroxy-ethylsulfanylmethyl)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 869.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 479.5±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 104.7±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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