ChemSpider 2D Image | (3beta,5xi,9xi,12beta,17xi)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl 2-O-[(5xi)-D-xylo-hexopyranosyl]-L-arabinopyranoside | C41H64O14

(3β,5ξ,9ξ,12β,17ξ)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl 2-O-[(5ξ)-D-xylo-hexopyranosyl]-L-arabinopyranoside

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID8137950
  • defined stereocentres - 13 of 19 defined stereocentres


More details:






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

(3β,5ξ,9ξ,12β,17ξ)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl 2-O-[(5ξ)-D-xylo-hexopyranosyl]-L-arabinopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,12β,17ξ)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl-2-O-[(5ξ)-D-xylo-hexopyranosyl]-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-[(5ξ)-D-xylo-Hexopyranosyl]-L-arabinopyranoside de (3β,5ξ,9ξ,12β,17ξ)-12,19-dihydroxy-28-oxo-20,28-époxyurs-13(18)-én-3-yle [French] [ACD/IUPAC Name]
Urs-13(18)-en-28-one, 20,28-epoxy-3-[[2-O-[(5ξ)-D-xylo-hexopyranosyl]-L-arabinopyranosyl]oxy]-12,19-dihydroxy-, (3β,5ξ,9ξ,12β,17ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 195.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.97
ACD/KOC (pH 5.5): 1571.51
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.97
ACD/KOC (pH 7.4): 1571.49
Polar Surface Area: 225 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 553.3±5.0 cm3

Click to predict properties on the Chemicalize site


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