ChemSpider 2D Image | (3beta,9xi,16beta)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside | C53H86O22

(3β,9ξ,16β)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranoside

  • Molecular FormulaC53H86O22
  • Average mass1075.237 Da
  • Monoisotopic mass1074.561035 Da
  • ChemSpider ID22913498

  • defined stereocentres - 28 of 30 defined stereocentres

More details:

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

(3β,9ξ,16β)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->;3)]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,9ξ,16β)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranoside de (3β,9ξ,16β)-20-hydroxy-16,23:16,30-diépoxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β,9ξ,16β)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[O-β-D-glucopyranosyl-(1->;6)-β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 262.1±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.45
ACD/KOC (pH 5.5): 1047.81
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.45
ACD/KOC (pH 7.4): 1047.81
Polar Surface Area: 335 Å2
Polarizability: 103.9±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 735.1±5.0 cm3

Click to predict properties on the Chemicalize site


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