ChemSpider 2D Image | (3beta)-3-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-N-(2-hydroxyphenyl)olean-12-en-28-amide | C47H71NO12

(3β)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-N-(2-hydroxyphenyl)olean-12-en-28-amide

  • Molecular FormulaC47H71NO12
  • Average mass842.066 Da
  • Monoisotopic mass841.497620 Da
  • ChemSpider ID58991279

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-N-(2-hydroxyphenyl)olean-12-en-28-amide [ACD/IUPAC Name]
(3β)-3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-N-(2-hydroxyphenyl)olean-12-en-28-amid [German] [ACD/IUPAC Name]
(3β)-3-{[2-O-(6-Désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-N-(2-hydroxyphényl)oléan-12-én-28-amide [French] [ACD/IUPAC Name]
Olean-12-en-28-amide, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-N-(2-hydroxyphenyl)-, (3β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 934.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.4±3.0 kJ/mol
Flash Point: 519.1±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 223.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 165812.36
ACD/KOC (pH 5.5): 189431.41
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 164565.63
ACD/KOC (pH 7.4): 188007.08
Polar Surface Area: 208 Å2
Polarizability: 88.5±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 633.4±5.0 cm3

Click to predict properties on the Chemicalize site


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