ChemSpider 2D Image | (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid | C48H78O17

(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID8163968
  • defined stereocentres - 23 of 23 defined stereocentres


More details:






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

(3β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[6-désoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->;3)-β-D-glucopyranosyl]oxy]-, (3β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1017.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.2±6.0 kJ/mol
Flash Point: 289.7±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: 9.81
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 18346.82
ACD/KOC (pH 5.5): 21488.08
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 289.04
ACD/KOC (pH 7.4): 338.52
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

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