ChemSpider 2D Image | (3beta,5xi,9xi,12alpha)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside | C41H64O13

(3β,5ξ,9ξ,12α)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID90615865

  • defined stereocentres - 17 of 19 defined stereocentres

More details:

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

(3β,5ξ,9ξ,12α)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,12α)-12,19-Dihydroxy-28-oxo-20,28-epoxyurs-13(18)-en-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside de (3β,5ξ,9ξ,12α)-12,19-dihydroxy-28-oxo-20,28-époxyurs-13(18)-én-3-yle [French] [ACD/IUPAC Name]
Urs-13(18)-en-28-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-20,28-epoxy-12,19-dihydroxy-, (3β,5ξ,9ξ,12α)- [ACD/Index Name]
(1R,4S,5R,10S,13R,16S,19S,20S)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-17-en-22-one
1239453-03-2 [RN]
Kudinoside LZ3

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 194.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7347.10
ACD/KOC (pH 5.5): 20368.39
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7347.02
ACD/KOC (pH 7.4): 20368.19
Polar Surface Area: 205 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 556.2±5.0 cm3

Click to predict properties on the Chemicalize site


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