ChemSpider 2D Image | (+)-Procyanidin B2 | C30H26O12

(+)-Procyanidin B2

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID109417

  • defined stereocentres - 5 of 5 defined stereocentres

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(+)-Procyanidin B2
(-)-Epicatechin (4β-8)-(-)-epicatechin
(2R,2'R,3R,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3,3',5,5',7,7'-hexol [German] [ACD/IUPAC Name]
(2R,2'R,3R,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol [ACD/IUPAC Name]
(2R,2'R,3R,3'R,4R)-2,2'-Bis(3,4-dihydroxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,8'-bichromène-3,3',5,5',7,7'-hexol [French] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)- [ACD/Index Name]
29106-49-8 [RN]
4,8"-Bi-[(+)-epicatechin]
cis,cis"-4,8"-Bi(3,3',4',5,7-pentahydroxyflavane)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

42157_FLUKA [DBID]
AIDS013365 [DBID]
AIDS-013365 [DBID]
NSC 623097 [DBID]
NSC143099 [DBID]
NSC623097 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 955.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 145.7±3.0 kJ/mol
    Flash Point: 531.6±34.3 °C
    Index of Refraction: 1.803
    Molar Refractivity: 145.4±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 10
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 3
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): 0.98
    ACD/BCF (pH 5.5): 3.25
    ACD/KOC (pH 5.5): 80.92
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 3.21
    ACD/KOC (pH 7.4): 79.89
    Polar Surface Area: 221 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 103.8±3.0 dyne/cm
    Molar Volume: 339.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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