4-[(1R)-2-Amino-1-Hydroxyethyl]-2-Hydroxyphenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C8H11NO6S
IUPAC Name [4-[(1r)-2-amino-1-hydroxy-ethyl]-2-hydroxy-phenyl] hydrogen sulfate
Molecular Mass 249.241 g·mol−1
Heat of Formation -972.5 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 254.5 Å 3
Surface Area 242.98 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(2-amino-1-hydroxyethyl)-, hydrogen sulfate (ester), (r)-
  • [4-[(1r)-2-amino-1-hydroxy-ethyl]-2-hydroxy-phenyl] hydrogen sulfate
  • [4-[(1r)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
  • noradrenaline sulfoconjugate
  • norepinephrine-3-o-sulfate
CAS Number(s)
  • 81138-41-2
InChIKey CVJMZWLHUCMEKO-ZETCQYMHSA-N
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