ChemSpider 2D Image | (5S)-1-O-Acetyl-3-O-(3-methyl-2-butenoyl)-5-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-beta-L-lyxopyranose | C27H28O11

(5S)-1-O-Acetyl-3-O-(3-methyl-2-butenoyl)-5-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-β-L-lyxopyranose

  • Molecular FormulaC27H28O11
  • Average mass528.505 Da
  • Monoisotopic mass528.163147 Da
  • ChemSpider ID23284788

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-1-O-Acetyl-3-O-(3-methyl-2-butenoyl)-5-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-β-L-lyxopyranose [German] [ACD/IUPAC Name]
(5S)-1-O-Acetyl-3-O-(3-methyl-2-butenoyl)-5-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-β-L-lyxopyranose [ACD/IUPAC Name]
(5S)-1-O-Acétyl-3-O-(3-méthyl-2-butenoyl)-5-[(9S)-4,5,9-trihydroxy-2-méthyl-10-oxo-9,10-dihydro-9-anthracényl]-β-L-lyxopyranose [French] [ACD/IUPAC Name]
(5S)-1-O-acetyl-3-O-(3-methylbut-2-enoyl)-5-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-β-L-lyxopyranose
β-L-Lyxopyranose, 5-C-[(9S)-9,10-dihydro-4,5,9-trihydroxy-2-methyl-10-oxo-9-anthracenyl]-3-O-(3-methyl-1-oxo-2-buten-1-yl)-, 1-acetate, (5S)- [ACD/Index Name]
(10S)-C-(1-O-acetyl-3-O-senecioyl)-β-L-lyxopyranosyl-1,8,10-trihydroxy-3-methylanthracen-9-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 783.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 262.4±26.4 °C
Index of Refraction: 1.672
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 926.64
ACD/KOC (pH 5.5): 4586.30
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 218.07
ACD/KOC (pH 7.4): 1079.33
Polar Surface Area: 180 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 346.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement