ChemSpider 2D Image | (3beta)-3-{[2-O-(6-Deoxy-alpha-D-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid | C41H66O12

(3β)-3-{[2-O-(6-Deoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID30783484

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β)-3-{[2-O-(6-Deoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[2-O-(6-Desoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[2-O-(6-désoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-α-D-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
[129724-84-1] [RN]
129724-84-1 [RN]
Anemoside A3
MFCD22572711
MFCD28127000
Pulchinenoside A
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 846.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.8±6.0 kJ/mol
Flash Point: 249.6±27.8 °C
Index of Refraction: 1.597
Molar Refractivity: 194.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 635.84
ACD/KOC (pH 5.5): 1899.60
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 9.99
ACD/KOC (pH 7.4): 29.86
Polar Surface Area: 196 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 571.6±5.0 cm3

Click to predict properties on the Chemicalize site


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