ChemSpider 2D Image | (13xi,16alpha)-16-Hydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-altropyranosyl-(1->3)-[alpha-L-idopyranosyl-(1->2)]-alpha-L-idopyranosiduronic acid | C54H88O23

(13ξ,16α)-16-Hydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronic acid

  • Molecular FormulaC54H88O23
  • Average mass1105.263 Da
  • Monoisotopic mass1104.571655 Da
  • ChemSpider ID110417962

  • defined stereocentres - 28 of 30 defined stereocentres

More details:

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

(13ξ,16α)-16-Hydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronic acid [ACD/IUPAC Name]
(13ξ,16α)-16-Hydroxy-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronsäure [German] [ACD/IUPAC Name]
(13ξ,16α,17α)-16-Hydroxy-13,28-epoxyoleanan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronic acid [ACD/IUPAC Name]
(13ξ,16α,17α)-16-Hydroxy-13,28-epoxyoleanan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronique de (13ξ,16α)-16-hydroxy-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-altropyranosyl-(1->3)-[α-L-idopyranosyl-(1->2)]-α-L-idopyranosiduronique de (13ξ,16α,17α)-16-hydroxy-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
α-L-Idopyranosiduronic acid, (13ξ,16α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-α-L-altropyranosyl-(1->3)-O-[α-L-idopyranosyl-(1->2)]- [ACD/Index Name]
α-L-Idopyranosiduronic acid, (13ξ,16α,17α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-α-L-altropyranosyl-(1->3)-O-[α-L-idopyranosyl-(1->2)]- [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: 1.634
Molar Refractivity: 266.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 6.54
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 105.8±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 746.1±5.0 cm3

Click to predict properties on the Chemicalize site


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