ChemSpider 2D Image | 3-O-[(2R,3S,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-D-lyxopyranosyl-(1->4)-3-O-acetyl-6-deoxy-beta-L-glucopyranosyl-(1->2)-1-O-[(2beta,3beta,5beta,16alpha,17alpha)-2,16,23,24-te trahydroxy-3-(alpha-D-mannopyranosyloxy)-24,28-dioxoolean-12-en-28-yl]-beta-L-ribopyranose | C59H92O30

3-O-[(2R,3S,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-D-lyxopyranosyl-(1->4)-3-O-acetyl-6-deoxy-β-L-glucopyranosyl-(1->2)-1-O-[(2β,3β,5β,16α,17α)-2,16,23,24-te trahydroxy-3-(α-D-mannopyranosyloxy)-24,28-dioxoolean-12-en-28-yl]-β-L-ribopyranose

  • Molecular FormulaC59H92O30
  • Average mass1281.344 Da
  • Monoisotopic mass1280.567383 Da
  • ChemSpider ID113609715

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

3-O-[(2R,3S,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-D-lyxopyranosyl-(1->4)-3-O-acetyl-6-deoxy-β-L-glucopyranosyl-(1->2)-1-O-[(2β,3β,5β,16α,17α)-2,16,23,24-te 
trahydroxy-3-(α-D-mannopyranosyloxy)-24,28-dioxoolean-12-en-28-yl]-β-L-ribopyranose [ACD/IUPAC Name]
3-O-[(2R,3S,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-D-lyxopyranosyl-(1->4)-3-O-acetyl-6-desoxy-β-L-glucopyranosyl-(1->2)-1-O-[(2β,3β,5β,16α,17α)-2,16,23,24-t 
etrahydroxy-3-(α-D-mannopyranosyloxy)-24,28-dioxoolean-12-en-28-yl]-β-L-ribopyranose [German] [ACD/IUPAC Name]
3-O-[(2R,3S,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-D-lyxopyranosyl-(1->4)-3-O-acétyl-6-désoxy-β-L-glucopyranosyl-(1->2)-1-O-[(2β,3β,5β,16α,17α)-2,16,23,24-t 
étrahydroxy-3-(α-D-mannopyranosyloxy)-24,28-dioxooléan-12-én-28-yl]-β-L-ribopyranose [French] [ACD/IUPAC Name]
β-L-Ribopyranose, O-3-O-[(2R,3S,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-α-D-lyxopyranosyl-(1->;4)-O-3-O-acetyl-6-deoxy-β-L-glucopyranosyl-(1->2)-1-O-[(2β,3β,5β,16al
 pha,17α)-2,16,23,24-tetrahydroxy-3-(α-D-mannopyranosyloxy)-24,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 298.1±0.4 cm3
#H bond acceptors: 30
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 476 Å2
Polarizability: 118.2±0.5 10-24cm3
Surface Tension: 90.6±5.0 dyne/cm
Molar Volume: 815.4±5.0 cm3

Click to predict properties on the Chemicalize site


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