ChemSpider 2D Image | (2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5'-dimethyl-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,7,7'-pentol | C32H30O11

(2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5'-dimethyl-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,7,7'-pentol

  • Molecular FormulaC32H30O11
  • Average mass590.574 Da
  • Monoisotopic mass590.178833 Da
  • ChemSpider ID32079101

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5'-dimethyl-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3,3',5,7,7'-pentol [German] [ACD/IUPAC Name]
(2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5'-dimethyl-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,7,7'-pentol [ACD/IUPAC Name]
(2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphényl)-3',5'-diméthyl-3,3',4,4'-tétrahydro-2H,2'H-4,8'-bichromène-3,3',5,7,7'-pentol [French] [ACD/IUPAC Name]
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydro-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[4,8'-Bi-2H-1-benzopyran]-3,3',5,7,7'-pentol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-3',5'-dimethyl-, (2R,2'R,3S,3'R,4S)- [ACD/Index Name]
84929-27-1 [RN]
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 78577443
GRAPE SEED DRY
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 869.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.4±3.0 kJ/mol
    Flash Point: 479.8±34.3 °C
    Index of Refraction: 1.750
    Molar Refractivity: 152.9±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 9
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 3
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 25.12
    ACD/KOC (pH 5.5): 349.55
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 24.94
    ACD/KOC (pH 7.4): 347.00
    Polar Surface Area: 201 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 87.7±3.0 dyne/cm
    Molar Volume: 375.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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