ChemSpider 2D Image | periplocin | C36H56O13

periplocin

  • Molecular FormulaC36H56O13
  • Average mass696.822 Da
  • Monoisotopic mass696.372070 Da
  • ChemSpider ID16739442

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5β)-3-{[2,6-Dideoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[2,6-Didesoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[2,6-Didésoxy-4-O-(β-D-glucopyranosyl)-3-O-méthyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
3b-[(2,6-Dideoxy-3-O-methyl-4-O-b-D-glucopyranosyl-b-D-ribo-hexopyranosyl)oxy]-5b,14-dihydroxycard-20(22)-enolide
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3β,5β)- [ACD/Index Name]
periplocin
(3β,5β)-3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-card-20(22)-enolide
[13137-64-9] [RN]
3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

199X940O3K [DBID]
UNII:199X940O3K [DBID]
UNII-199X940O3K [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 848.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 140.1±6.0 kJ/mol
    Flash Point: 260.4±27.8 °C
    Index of Refraction: 1.607
    Molar Refractivity: 173.7±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: -0.84
    ACD/LogD (pH 5.5): -0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.55
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.55
    Polar Surface Area: 194 Å2
    Polarizability: 68.8±0.5 10-24cm3
    Surface Tension: 66.9±5.0 dyne/cm
    Molar Volume: 502.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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