3-{(3S,6R)-2-Oxo-6-[(1S,2R,3R)-1,2,3,4-Tetrahydroxybutyl]-3-Morpholinyl}Propanamide

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Properties Simple | Detailed

Formula C11H20N2O7
IUPAC Name 3-[(3s,6r)-2-oxo-6-[(1s,2r,3r)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide
Molecular Mass 292.286 g·mol−1
Heat of Formation -1357.9 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 329.34 Å 3
Surface Area 270.18 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (1'-deoxy-d-mannitol-1'-yl)-l-glutamine,1',2'-lactone
  • 1h-pyrrolo(2,1-c)(1,4)oxazine-1,6(7h)-dione, tetrahydro-3-(1,2,3,4-tetrahydroxybutyl)-
  • 3-[(3s,6r)-2-keto-6-[(1s,2r,3r)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propionamide
  • 3-[(3s,6r)-2-oxo-6-[(1s,2r,3r)-1,2,3,4-tetrahydroxybutyl]-3-morpholinyl]propanamide
  • 3-[(3s,6r)-2-oxo-6-[(1s,2r,3r)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide
  • d-mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, intermol. 1,2-ester, (s)-
CAS Number(s)
  • 70699-77-3
InChIKey HCWLJSDMOMMDRF-SZWOQXJISA-N
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