ChemSpider 2D Image | (5xi,9xi,18xi)-3-{[(5S)-5-Glycoloyl-D-xylopyranosyl]oxy}-11-oxoolean-12-en-30-oic acid | C37H56O10

(5ξ,9ξ,18ξ)-3-{[(5S)-5-Glycoloyl-D-xylopyranosyl]oxy}-11-oxoolean-12-en-30-oic acid

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID4438939

  • defined stereocentres - 9 of 14 defined stereocentres

More details:

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

(5ξ,9ξ,18ξ)-3-{[(5S)-5-Glycoloyl-D-xylopyranosyl]oxy}-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(5ξ,9ξ,18ξ)-3-{[(5S)-5-Glycoloyl-D-xylopyranosyl]oxy}-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ,18ξ)-3-{[(5S)-5-(2-hydroxyacétyl)-D-xylopyranosyl]oxy}-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-(D-gluco-heptopyranosyl-6-uloseoxy)-11-oxo-, (5ξ,9ξ,18ξ)- [ACD/Index Name]

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

AIDS227082 [DBID]
AIDS-227082 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 239.2±26.4 °C
Index of Refraction: 1.592
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2099.83
ACD/KOC (pH 5.5): 4746.43
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 33.29
ACD/KOC (pH 7.4): 75.24
Polar Surface Area: 171 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 508.5±5.0 cm3

Click to predict properties on the Chemicalize site


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