Found 57 results

Search term: MF = 'C_{47}H_{76}O_{16}'
ChemSpider 2D Image | 3-{[alpha-L-Lyxopyranosyl-(1->2)-6-deoxy-alpha-D-allopyranosyl-(1->3)-beta-D-allopyranosyl]oxy}olean-12-en-28-oic acid | C47H76O16

3-{[α-L-Lyxopyranosyl-(1->2)-6-deoxy-α-D-allopyranosyl-(1->3)-β-D-allopyranosyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC47H76O16
  • Average mass897.097 Da
  • Monoisotopic mass896.513306 Da
  • ChemSpider ID4476488

  • defined stereocentres - 14 of 22 defined stereocentres

More details:

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

3-{[α-L-Lyxopyranosyl-(1->2)-6-deoxy-α-D-allopyranosyl-(1->3)-β-D-allopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
3-{[α-L-Lyxopyranosyl-(1->2)-6-desoxy-α-D-allopyranosyl-(1->3)-β-D-allopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 3-{[α-L-lyxopyranosyl-(1->2)-6-désoxy-α-D-allopyranosyl-(1->3)-β-D-allopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-α-L-lyxopyranosyl-(1->2)-O-6-deoxy-α-D-allopyranosyl-(1->3)-β-D-allopyranosyl]oxy]- [ACD/Index Name]
3-O-α-L-Glucopyranosyl-(1-->3)-α-L-rhamno-pyranosyl-(1-->2)-α-L-arabinopyranosyloleanclic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 976.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.3±6.0 kJ/mol
Flash Point: 279.3±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: 10.17
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 10325.88
ACD/KOC (pH 5.5): 14240.08
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 162.67
ACD/KOC (pH 7.4): 224.34
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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