ChemSpider 2D Image | Methyl (1R,2R,4S)-4-[(6-deoxy-alpha-L-galactopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C28H30O13

Methyl (1R,2R,4S)-4-[(6-deoxy-α-L-galactopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID34241834

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,4S)-4-[(6-Désoxy-α-L-galactopyranosyl)oxy]-2-éthyl-2,5,7,12-tétrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 4-[(6-deoxy-α-L-galactopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-4-[(6-deoxy-α-L-galactopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-4-[(6-desoxy-α-L-galactopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 727.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 238.1±26.4 °C
Index of Refraction: 1.715
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 201.59
ACD/KOC (pH 5.5): 1489.31
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 7.90
ACD/KOC (pH 7.4): 58.34
Polar Surface Area: 221 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 344.9±5.0 cm3

Click to predict properties on the Chemicalize site


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