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

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

  • Molecular FormulaC59H92O30
  • Average mass1281.344 Da
  • Monoisotopic mass1280.567383 Da
  • ChemSpider ID58802099

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

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

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-2-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β-D-glucopyranosyloxy ; )-2,16,23,24-tetrahydroxy-24,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-2-O-acetyl-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β-D-glucopyranosylox ; y)-2,16,23,24-tetrahydroxy-24,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-2-O-acétyl-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β-D-glucopyranosylox ; y)-2,16,23,24-tétrahydroxy-24,28-dioxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-2-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16alph
 a)-3-(β-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-24,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
1256935-30-4 [RN]
2-o-acetyl-platyconic acid a
2''-O-acetyl-Platyconic acid A

    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


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