ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3,29-dihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C48H76O19

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3,29-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID9847189

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3,29-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3,29-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3,29-dihydroxy-23,28-dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(3β)-3,29-dihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1025.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.7±6.0 kJ/mol
Flash Point: 291.4±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 235.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.08
ACD/KOC (pH 5.5): 368.87
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.08
ACD/KOC (pH 7.4): 368.86
Polar Surface Area: 312 Å2
Polarizability: 93.2±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 662.4±5.0 cm3

Click to predict properties on the Chemicalize site


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