3-Hydroxy-4,5-Bis(Hydroxymethyl)-2-(3-Methyl-2-Buten-1-Yl)Phenyl 2,4-Dihydroxy-6-Methylbenzoate

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Properties Simple | Detailed

Formula C21H24O7
IUPAC Name [3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methyl-benzoate
Molecular Mass 388.411 g·mol−1
Heat of Formation -1185.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 459.13 Å 3
Surface Area 381.1 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-6-methyl-benzoic acid [3-hydroxy-2-(3-methylbut-2-enyl)-4,5-dimethylol-phenyl] ester
  • 2,4-dihydroxy-6-methylbenzoic acid [3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] ester
  • [3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
  • beta-resorcylic acid, 6-methyl-, 3,4-bis(hydroxymethyl)-5-hydroxy-6-(3-methyl-2-butenyl)phenyl ester
  • glyo-i
  • glyoxalase i
  • ms-3
  • ms-3 (glyoxalase inhibitor)
CAS Number(s)
  • 58265-74-0
  • 57827-79-9
InChIKey WTZUCTQSBSDSRG-UHFFFAOYSA-N
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