ChemSpider 2D Image | 3-O-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-L-xylopyranosyl-(1->4)-2-O-acetyl-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(2alpha,3alpha,5beta,8alpha,9beta,10alpha,14beta, 16beta,17alpha,18alpha)-3-(beta-L-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-23,28-dioxoolean-12-en-28-yl]-alpha-D-arabinopyranose | C59H92O30

3-O-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-L-xylopyranosyl-(1->4)-2-O-acetyl-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5β,8α,9β,10α,14β, 16β,17α,18α)-3-(β-L-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-23,28-dioxoolean-12-en-28-yl]-α-D-arabinopyranose

  • Molecular FormulaC59H92O30
  • Average mass1281.344 Da
  • Monoisotopic mass1280.567383 Da
  • ChemSpider ID113601126

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

3-O-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-L-xylopyranosyl-(1->4)-2-O-acetyl-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5β,8α,9β,10α,14β, 16β,17α,18α)-3-(β-L-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-23,28-dioxoolean-12-en-28-yl]-α-D-arabinopyranose [ACD/IUPAC Name]
3-O-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-L-xylopyranosyl-(1->4)-2-O-acetyl-6-desoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5β,8α,9β,10α,14β ,16β,17α,18α)-3-(β-L-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-23,28-dioxoolean-12-en-28-yl]-α-D-arabinopyranose [German] [ACD/IUPAC Name]
3-O-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-L-xylopyranosyl-(1->4)-2-O-acétyl-6-désoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5β,8α,9β,10α,14β ,16β,17α,18α)-3-(β-L-glucopyranosyloxy)-2,16,23,24-tétrahydroxy-23,28-dioxooléan-12-én-28-yl]-α-D-arabinopyranose [French] [ACD/IUPAC Name]
α-D-Arabinopyranose, O-3-O-[(2R,3S,4S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-L-xylopyranosyl-(1->4)-O-2-O-acetyl-6-deoxy-α-D-mannopyranosyl-(1->2)-1-O-[(2α,3α,5bet
 a,8α,9β,10α,14β,16β,17α,18α)-3-(β-L-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-23,28-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: 1.76
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.02
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


Advertisement