ChemSpider 2D Image | Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C28H31NO12

Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC28H31NO12
  • Average mass573.545 Da
  • Monoisotopic mass573.184631 Da
  • ChemSpider ID9596659

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-4-[(3-Amino-2,3,6-tridésoxy-α-L-arabino-hexopyranosyl)oxy]-2-éthyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-4-[(3-amino-2,3,6-tridesoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,10,12-pentahydroxy-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: 1.6±0.1 g/cm3
Boiling Point: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 7.45
Polar Surface Area: 226 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 100.4±5.0 dyne/cm
Molar Volume: 350.0±5.0 cm3

Click to predict properties on the Chemicalize site


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