ChemSpider 2D Image | Methyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetrac enecarboxylate | C35H43NO13

Methyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetrac enecarboxylate

  • Molecular FormulaC35H43NO13
  • Average mass685.715 Da
  • Monoisotopic mass685.273438 Da
  • ChemSpider ID8993675

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2R,4S)-2,5,7-Trihydroxy-2-méthyl-6,11-dioxo-4-{[2,3,6-tridésoxy-4-O-(2,6-didésoxy-α-L-lyxo-hexopyranosyl)-3-(diméthylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétracèneca rboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]o xy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetrac enecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-tridesoxy-4-O-(2,6-didesoxy-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetr acencarboxylat [German] [ACD/IUPAC Name]
83753-71-3 [RN]
Auramycin C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.0±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 170.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 7.68
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 10.08
Polar Surface Area: 202 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 464.2±5.0 cm3

Click to predict properties on the Chemicalize site


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