ChemSpider 2D Image | 6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-{3-[(2-O-hexopyranosylpentopyranosyl)oxy]-23-hydroxy-28-oxoolean-12-en-28-yl}hexopyranose | C59H96O27

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

  • Molecular FormulaC59H96O27
  • Average mass1237.377 Da
  • Monoisotopic mass1236.613892 Da
  • ChemSpider ID24617411

  • defined stereocentres - 33 of 33 defined stereocentres

More details:

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

60454-69-5 [RN]
6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-{3-[(2-O-hexopyranosylpentopyranosyl)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-hexopyranosylpentopyranosyl)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-hexopyranosylpentopyranosyl)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-hexopyranosylpentopyranosyl)oxy]-23-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

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

45000Y0S21 [DBID]

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: 296.0±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.83
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.83
Polar Surface Area: 433 Å2
Polarizability: 117.4±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 817.2±5.0 cm3

Click to predict properties on the Chemicalize site


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