(S)-Coclaurine

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Properties Simple | Detailed

Formula C17H19NO3
IUPAC Name (1s)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Molecular Mass 285.338 g·mol−1
Heat of Formation -347.6 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 344.34 Å 3
Surface Area 308.63 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
  • (1s)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
  • (s)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol
  • 1,2,3,4-tetrahydro-1-(p-hydroxybenzyl)-6-methoxy-7-isoquinolinol
  • 1-(p-hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
CAS Number(s)
  • 486-39-5
InChIKey LVVKXRQZSRUVPY-HNNXBMFYSA-N
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