ChemSpider 2D Image | [(5S,5'S,6S,6'S,10aS,10a'S)-5,5'-Diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate | C38H38O16

[(5S,5'S,6S,6'S,10aS,10a'S)-5,5'-Diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate

  • Molecular FormulaC38H38O16
  • Average mass750.699 Da
  • Monoisotopic mass750.216003 Da
  • ChemSpider ID64860121

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(5S,5'S,6S,6'S,10aS,10a'S)-5,5'-Diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthen-10a,10a'-diyl]dimethylen-diacetat [German] [ACD/IUPAC Name]
[(5S,5'S,6S,6'S,10aS,10a'S)-5,5'-Diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate [ACD/IUPAC Name]
[5,5'-Bi-3H-xanthene]-9,9'(2H,2'H)-dione, 4,4'-bis(acetyloxy)-4a,4'a-bis[(acetyloxy)methyl]-4,4',4a,4'a-tetrahydro-1,1',8,8'-tetrahydroxy-3,3'-dimethyl-, (3S,3'S,4S,4'S,4aS,4a'S)- [ACD/Index Name]
Diacétate de [(5S,5'S,6S,6'S,10aS,10a'S)-5,5'-diacétoxy-1,1',8,8'-tétrahydroxy-6,6'-diméthyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthène-10a,10a'-diyl]diméthylène [French] [ACD/IUPAC Name]
110386-56-6 [RN]
Aphidicolin-3α,18-acetonide
Phomoxanthone 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: 885.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.8±3.0 kJ/mol
    Flash Point: 272.2±27.8 °C
    Index of Refraction: 1.659
    Molar Refractivity: 179.8±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 6.62
    ACD/LogD (pH 5.5): 4.30
    ACD/BCF (pH 5.5): 458.29
    ACD/KOC (pH 5.5): 995.99
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 2.69
    Polar Surface Area: 239 Å2
    Polarizability: 71.3±0.5 10-24cm3
    Surface Tension: 79.6±5.0 dyne/cm
    Molar Volume: 487.7±5.0 cm3

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