Procyanidin B1

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Properties Simple | Detailed

Formula C30H26O12
IUPAC Name (2r,3s)-2-(3,4-dioxidobenzene-2,5,6-triid-1-yl)-8-[(2r,3r,4r)-2-(3,4-dioxidobenzene-2,5,6-triid-1-yl)-3-hydroxy-5,7-dioxido-chroman-4-yl]chromane-3,5,7-triolate
Molecular Mass 578.520 g·mol−1
Heat of Formation -1826.5 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 620.66 Å 3
Surface Area 496.87 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol
  • (2r,3r,4r)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol
  • (2r,3r,4r)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol
  • cis,trans′′-4,8′′-bi-(3,3′,4′,5,7-pentahydroxyflavane)
InChIKey XFZJEEAOWLFHDH-UKWJTHFESA-N
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