ChemSpider 2D Image | (5xi,8xi,9xi,10xi,17xi,18xi)-3-[(2-O-Acetyl-beta-D-ribopyranosyl)oxy]olean-12-ene-28,29-dioic acid | C37H56O10

(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-[(2-O-Acetyl-β-D-ribopyranosyl)oxy]olean-12-ene-28,29-dioic acid

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID4884557

  • defined stereocentres - 6 of 13 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-[(2-O-Acetyl-β-D-ribopyranosyl)oxy]olean-12-en-28,29-disäure [German] [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-[(2-O-Acetyl-β-D-ribopyranosyl)oxy]olean-12-ene-28,29-dioic acid [ACD/IUPAC Name]
Acide (5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-3-[(2-O-acétyl-β-D-ribopyranosyl)oxy]oléan-12-ène-28,29-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-28,29-dioic acid, 3-[(2-O-acetyl-β-D-ribopyranosyl)oxy]-, (5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)- [ACD/Index Name]
3-O-α-(2''-O-Acetyl)-D-xylopyranosyl-3β-hydroxyolean-12-ene-28,29-dioic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 226.6±26.4 °C
Index of Refraction: 1.582
Molar Refractivity: 172.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 1744.29
ACD/KOC (pH 5.5): 2158.20
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 2.72
ACD/KOC (pH 7.4): 3.37
Polar Surface Area: 160 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 516.6±5.0 cm3

Click to predict properties on the Chemicalize site


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