ChemSpider 2D Image | (10S)-3-(beta-L-Allopyranosyloxy)-10-{[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxo-9,10-dihydro-9-anthracenyl]peroxy}-8-hydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracenecarboxylic acid | C42H40O17

(10S)-3-(β-L-Allopyranosyloxy)-10-{[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxo-9,10-dihydro-9-anthracenyl]peroxy}-8-hydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracenecarboxylic acid

  • Molecular FormulaC42H40O17
  • Average mass816.757 Da
  • Monoisotopic mass816.226563 Da
  • ChemSpider ID78442880

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(10S)-3-(β-L-Allopyranosyloxy)-10-{[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxo-9,10-dihydro-9-anthracenyl]peroxy}-8-hydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracencarbonsäure [German] [ACD/IUPAC Name]
(10S)-3-(β-L-Allopyranosyloxy)-10-{[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxo-9,10-dihydro-9-anthracenyl]peroxy}-8-hydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracenecarboxylic acid [ACD/IUPAC Name]
2-Anthracenecarboxylic acid, 3-(β-L-allopyranosyloxy)-10-[[(9S)-3-carboxy-9,10-dihydro-2,5-dihydroxy-4,6,9-trimethyl-10-oxo-9-anthracenyl]dioxy]-9,10-dihydro-8-hydroxy-1,7,10-trimethyl-9-oxo-, (10S )- [ACD/Index Name]
Acide (10S)-3-(β-L-allopyranosyloxy)-10-{[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-triméthyl-10-oxo-9,10-dihydro-9-anthracényl]peroxy}-8-hydroxy-1,7,10-triméthyl-9-oxo-9,10-dihydro-2-anthracènecarboxyliq ue [French] [ACD/IUPAC Name]
Adxanthromycin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1078.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.7±3.0 kJ/mol
Flash Point: 329.1±27.8 °C
Index of Refraction: 1.757
Molar Refractivity: 199.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 4.35
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 287 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 109.5±5.0 dyne/cm
Molar Volume: 485.5±5.0 cm3

Click to predict properties on the Chemicalize site


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