ChemSpider 2D Image | Methyl (4r)-2-Ethyl-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-4-{[2,3,6-Trideoxy-3-(Dimethylamino)-Beta-D-Ribo-Hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-Tetracene-1-Carboxylate | C31H37NO11

Methyl (4r)-2-Ethyl-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-4-{[2,3,6-Trideoxy-3-(Dimethylamino)-β-D-Ribo-Hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-Tetracene-1-Carboxylate

  • Molecular FormulaC31H37NO11
  • Average mass599.626 Da
  • Monoisotopic mass599.236633 Da
  • ChemSpider ID25057972

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-2-Éthyl-2,5,12-trihydroxy-7-méthoxy-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-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-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 (4r)-2-Ethyl-2,5,12-Trihydroxy-7-Methoxy-6,11-Dioxo-4-{[2,3,6-Trideoxy-3-(Dimethylamino)-β-D-Ribo-Hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-Tetracene-1-Carboxylate
Methyl-(1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-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]
4-Methoxy-E-Rhodomycin T
ERT

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

Density: 1.5±0.1 g/cm3
Boiling Point: 721.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.8±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 9.92
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 23.97
ACD/KOC (pH 7.4): 148.67
Polar Surface Area: 172 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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