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]
[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]

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]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A proanthocyanidin consisting of two molecules of (<minus/>)-epicatechin joined by a bond between positions 4 and 8' in a <stereo>beta</stereo>-configuration. Procyanidin B2 can be found in <ital>Cinc hona pubescens</ital> (Chinchona, in the rind, bark and cortex), in <ital>Cinnamomum verum</ital> (Ceylon cinnamon, in the rind, bark and cortex), in <ital>Crataegus monogyna</ital> (Common hawthorn, in the flower and blossom), in <ital>Uncaria guianensis</ital> (Cat's claw, in the root), in <ital>Vitis vinifera</ital> (Common grape vine, in the leaf), in <ital>Litchi chinensis</ital> (litchi, in the pericarp), in the apple, in <ital>Ecdysanthera utilis</ital> and in red wine. ChEBI CHEBI:75632

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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