ChemSpider 2D Image | Methyl 2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C30H35NO11

Methyl 2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC30H35NO11
  • Average mass585.599 Da
  • Monoisotopic mass585.221008 Da
  • ChemSpider ID138559

More details:

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

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy]-, methyl ester [ACD/Index Name]
2-Éthyl-2,5,7,9-tétrahydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-3-(diméthylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
2-Hydroxyaclacinomycin T
80839-98-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 771.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.1±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 10.85
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.07
Polar Surface Area: 183 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 388.2±5.0 cm3

Click to predict properties on the Chemicalize site


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