Found 57 results

Search term: MF = 'C_{47}H_{76}O_{16}'
ChemSpider 2D Image | 6-Deoxy-1-O-[(3beta)-28-oxo-3-{[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}olean-12-en-28-yl]-alpha-L-mannopyranose | C47H76O16

6-Deoxy-1-O-[(3β)-28-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}olean-12-en-28-yl]-α-L-mannopyranose

  • Molecular FormulaC47H76O16
  • Average mass897.097 Da
  • Monoisotopic mass896.513306 Da
  • ChemSpider ID9861345

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

6-Deoxy-1-O-[(3β)-28-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}olean-12-en-28-yl]-α-L-mannopyranose [ACD/IUPAC Name]
6-Desoxy-1-O-[(3β)-28-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}olean-12-en-28-yl]-α-L-mannopyranose [German] [ACD/IUPAC Name]
6-Désoxy-1-O-[(3β)-28-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}oléan-12-én-28-yl]-α-L-mannopyranose [French] [ACD/IUPAC Name]
α-L-Mannopyranose, 6-deoxy-1-O-[(3β)-28-oxo-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]olean-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: 932.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.0±6.0 kJ/mol
Flash Point: 264.8±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 227.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 35991.03
ACD/KOC (pH 5.5): 63478.98
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 35990.84
ACD/KOC (pH 7.4): 63478.63
Polar Surface Area: 255 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 654.9±5.0 cm3

Click to predict properties on the Chemicalize site


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