ChemSpider 2D Image | 6-Deoxy-beta-D-allopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-(3-hydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranose | C48H78O17

6-Deoxy-β-D-allopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-(3-hydroxy-28-oxoolean-12-en-28-yl)-β-D-glucopyranose

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID10142300

  • defined stereocentres - 15 of 23 defined stereocentres

More details:

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

6-Deoxy-β-D-allopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-(3-hydroxy-28-oxoolean-12-en-28-yl)-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-β-D-allopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-(3-hydroxy-28-oxoolean-12-en-28-yl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-D-allopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-(3-hydroxy-28-oxooléan-12-én-28-yl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-β-D-allopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-(3-hydroxy-28-oxoolean-12-en-28-yl)- [ACD/Index Name]
3-Epi-oleanolic acid-28-O-α-L-rhamnopyranosyl-(1-->4)-β-D-glucopyranosyl-(1-->6)-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 972.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.6±6.0 kJ/mol
Flash Point: 275.0±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 233.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1867.76
ACD/KOC (pH 5.5): 7637.16
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1867.75
ACD/KOC (pH 7.4): 7637.10
Polar Surface Area: 275 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 668.6±5.0 cm3

Click to predict properties on the Chemicalize site


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