ChemSpider 2D Image | 6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[2-O-(6-deoxyhexopyranosyl)pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose | C59H96O26

6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[2-O-(6-deoxyhexopyranosyl)pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID25059684

  • defined stereocentres - 32 of 33 defined stereocentres

More details:

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

6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[2-O-(6-deoxyhexopyranosyl)pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose [ACD/IUPAC Name]
6-Desoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[2-O-(6-desoxyhexopyranosyl)pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose [German] [ACD/IUPAC Name]
6-Désoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[2-O-(6-désoxyhexopyranosyl)pentopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl)hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, O--6-deoxyhexopyranosyl-(1->4)-O-hexopyranosyl-(1->6)-1-O-[3-[[2-O-(6-deoxyhexopyranosyl)pentopyranosyl]oxy]-23-hydroxy-28-oxoolean-12-en-28-yl]- [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: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.46
ACD/KOC (pH 5.5): 382.19
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.46
ACD/KOC (pH 7.4): 382.19
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


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