ChemSpider 2D Image | CSID:8995333 | C54H92O23

  • Molecular FormulaC54H92O23
  • Average mass1109.295 Da
  • Monoisotopic mass1108.602905 Da
  • ChemSpider ID8995333

  • defined stereocentres - 20 of 24 defined stereocentres

More details:

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

{(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,29R,30S,31S,33R)-30-{[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-5-(isobutyryloxy)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,5,11,12-tetrahydroxy-13,31-dimethyl-33-[(2-methyl ;butanoyl)oxy]-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacont-6-yl}methyl-3-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
3-Hydroxy-2-méthylbutanoate de {(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,29R,30S,31S,33R)-30-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-(isobutyryloxy)-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4,5,11,12-tétrahydro ;xy-13,31-diméthyl-33-[(2-méthylbutanoyl)oxy]-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatétracyclo[27.3.1.03,8.010,15]tritriacont-6-yl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1090.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.1±6.0 kJ/mol
Flash Point: 294.0±27.8 °C
Index of Refraction: 1.547
Molar Refractivity: 273.4±0.4 cm3
#H bond acceptors: 23
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 121581.90
ACD/KOC (pH 5.5): 151819.42
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 121578.96
ACD/KOC (pH 7.4): 151815.77
Polar Surface Area: 321 Å2
Polarizability: 108.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 862.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement