(3S,6R)-6-Hydroxy-6-[(R)-Hydroxy(Phenyl)Methyl]-3-Isopropyl-3,5-Dimethoxy-3,6-Dihydro-2(1H)-Pyrazinone

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Properties Simple | Detailed

Formula C16H22N2O5
IUPAC Name (3s,6r)-6-hydroxy-6-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-3,5-dimethoxy-1h-pyrazin-2-one
Molecular Mass 322.356 g·mol−1
Heat of Formation -765.6 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 384.85 Å 3
Surface Area 307.58 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r)-6-hydroxy-6-[(r)-hydroxy-phenyl-methyl]-3,5-dimethoxy-3-propan-2-yl-1h-pyrazin-2-one
  • (3s,6r)-6-hydroxy-6-[(r)-hydroxy-phenyl-methyl]-3-isopropyl-3,5-dimethoxy-1h-pyrazin-2-one
  • (3s,6r)-6-hydroxy-6-[(r)-hydroxy-phenylmethyl]-3,5-dimethoxy-3-propan-2-yl-1h-pyrazin-2-one
  • (3s,6r)-6-hydroxy-6-[(r)-hydroxy-phenylmethyl]-3-isopropyl-3,5-dimethoxy-1h-pyrazin-2-one
InChIKey GOQWKAOJTXJMMW-WQVCFCJDSA-N
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