ChemSpider 2D Image | Methyl (2S,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C29H31NO12

Methyl (2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC29H31NO12
  • Average mass585.556 Da
  • Monoisotopic mass585.184631 Da
  • ChemSpider ID8568949

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S,4S)-4-[(3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,7,12-tétrahydroxy-6,11-dioxo-2-(2-oxopropyl)-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-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-, methyl ester, (2S,4S)- [ACD/Index Name]
Methyl (2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(2S,4S)-4-[(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-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: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 223 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 93.4±5.0 dyne/cm
Molar Volume: 366.1±5.0 cm3

Click to predict properties on the Chemicalize site


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