(1R)-1-(4-Hydroxybenzyl)-1,2,3,4-Tetrahydro-6,7-Isoquinolinediol

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Properties Simple | Detailed

Formula C16H17NO3
IUPAC Name (1r)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular Mass 271.311 g·mol−1
Heat of Formation -362.1 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 323.28 Å 3
Surface Area 288.78 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-demethylcoclaurine
  • (1r)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • (1r)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • (r)-norcoclaurine
  • 6,7-dihydroxy-(1r)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CAS Number(s)
  • 106032-53-5
InChIKey WZRCQWQRFZITDX-CQSZACIVSA-N
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