ChemSpider 2D Image | beta-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12-en-28-yl]-alpha-L-arabinopyranose | C52H80O24

β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-(β-D-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC52H80O24
  • Average mass1089.177 Da
  • Monoisotopic mass1088.503906 Da
  • ChemSpider ID29814574

  • defined stereocentres - 26 of 28 defined stereocentres

More details:

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

α-L-Arabinopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-(β-D-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
β-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-(β-D-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-(β-D-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
β-D-Xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-(β-D-glucopyranuronosyloxy)-2,24-dihydroxy-24,28-dioxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
128192-15-4 [RN]
Compound NP-017751

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: 1.644
Molar Refractivity: 257.9±0.4 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 388 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 712.1±5.0 cm3

Click to predict properties on the Chemicalize site


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