ChemSpider 2D Image | Methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1-t
etracenecarboxylate | C42H53NO15

Methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1-t etracenecarboxylate

  • Molecular FormulaC42H53NO15
  • Average mass811.868 Da
  • Monoisotopic mass811.341492 Da
  • ChemSpider ID1931

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-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamin o)hexopyranosyl]oxy]-, methyl ester [ACD/Index Name]
1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl]oxy]-, methyl ester
2-Éthyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-tridésoxy-4-O-[2,6-didésoxy-4-O-(6-méthyl-5-oxotétrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(diméthylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1-tétrac ènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1-t etracenecarboxylate [ACD/IUPAC Name]
Methyl-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-tridesoxy-4-O-[2,6-didesoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-1 -tetracencarboxylat [German] [ACD/IUPAC Name]
57576-44-0 [RN]
methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

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

NSC-208734 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 897.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 16.28
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 21.37
Polar Surface Area: 217 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 569.9±5.0 cm3

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