ChemSpider 2D Image | daphnodorin B | C30H22O10

daphnodorin B

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID65355

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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[(2R,3S)-3,5-Dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl](2,4,6-trihydroxyphenyl)methanon [German] [ACD/IUPAC Name]
[(2R,3S)-3,5-Dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl](2,4,6-trihydroxyphenyl)methanone [ACD/IUPAC Name]
[(2R,3S)-3,5-Dihydroxy-2,8-bis(4-hydroxyphényl)-3,4-dihydro-2H-furo[2,3-h]chromén-9-yl](2,4,6-trihydroxyphényl)méthanone [French] [ACD/IUPAC Name]
daphnodorin B
Methanone, [(2R,3S)-3,4-dihydro-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo[2,3-h]-1-benzopyran-9-yl](2,4,6-trihydroxyphenyl)- [ACD/Index Name]
[(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone
[3,4-Dihydro-3,5-dihydro-2,8-bis(4-hydroxyphenyl)-2H-furo[2,3-h]benzopyran-9-yl](2,4,5-trihydroxyphenyl)methanone, trans-(-)
95733-02-1 [RN]
Methanone, (3,4-dihydro-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo(2,3-h)-l-benzopyran-9-yl)(2,4,6-trihydroxyphenyl)-, trans-(-)-

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

AIDS006416 [DBID]
AIDS-006416 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 756.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.6±3.0 kJ/mol
    Flash Point: 411.0±32.9 °C
    Index of Refraction: 1.776
    Molar Refractivity: 141.9±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 7
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 4.48
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 448.94
    ACD/KOC (pH 5.5): 2622.24
    ACD/LogD (pH 7.4): 2.46
    ACD/BCF (pH 7.4): 19.71
    ACD/KOC (pH 7.4): 115.14
    Polar Surface Area: 181 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 87.9±3.0 dyne/cm
    Molar Volume: 339.4±3.0 cm3

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