ChemSpider 2D Image | (4S,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione | C26H32O11

(4S,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID64849711

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(4S,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trion [German] [ACD/IUPAC Name]
(4S,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione [ACD/IUPAC Name]
(4S,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]méthyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furane-1,3,6-trione [French] [ACD/IUPAC Name]
1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione, 10-[(S)-[(2S)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-[(1R)-1-hydroxyheptyl]-, (4S,5S,10S)- [ACD/Index Name]
22467-31-8 [RN]
Rubratoxin A

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 857.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 141.7±6.0 kJ/mol
    Flash Point: 288.5±27.8 °C
    Index of Refraction: 1.615
    Molar Refractivity: 124.8±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: -0.34
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.32
    ACD/KOC (pH 5.5): 42.48
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.32
    ACD/KOC (pH 7.4): 42.45
    Polar Surface Area: 177 Å2
    Polarizability: 49.5±0.5 10-24cm3
    Surface Tension: 70.7±5.0 dyne/cm
    Molar Volume: 357.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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