ChemSpider 2D Image | (3beta,13xi,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-6-O-acetyl-beta-D-glucopyranoside | C49H78O18

(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC49H78O18
  • Average mass955.133 Da
  • Monoisotopic mass954.518799 Da
  • ChemSpider ID9666343

  • defined stereocentres - 23 of 24 defined stereocentres

More details:

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

(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-O-acétyl-β-D-glucopyranoside de (3β,13ξ,23S)-20-hydroxy-21-oxo-21,23-époxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
Dammar-24-en-21-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-6-O-acetyl-β-D-glucopyranosyl]oxy]-21,23-epoxy-20-hydroxy-, (3β,13ξ,23S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 979.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.9±6.0 kJ/mol
Flash Point: 275.4±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 238.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6913.98
ACD/KOC (pH 5.5): 19501.53
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6913.84
ACD/KOC (pH 7.4): 19501.14
Polar Surface Area: 270 Å2
Polarizability: 94.5±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 698.8±5.0 cm3

Click to predict properties on the Chemicalize site


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