ChemSpider 2D Image | Methyl (1R,4R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C30H35NO11

Methyl (1R,4R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC30H35NO11
  • Average mass585.599 Da
  • Monoisotopic mass585.221008 Da
  • ChemSpider ID27022961

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,4R)-2-Éthyl-2,5,7,10-tétrahydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-3-(diméthylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,4R)- [ACD/Index Name]
Methyl (1R,4R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,4R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
(7R*,9R*,10R*)-pyrromycin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 745.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.7±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: 4
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 3.37
ACD/KOC (pH 5.5): 16.78
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 27.42
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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