N-(7-Bromoheptanoyl)-O-Phosphono-L-Threonine

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Properties Simple | Detailed

Formula C11H21BrNO7P
IUPAC Name (2s,3r)-2-(7-bromoheptanoylamino)-3-phosphonooxy-butanoic acid
Molecular Mass 390.165 g·mol−1
Heat of Formation -1750.0 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 400.34 Å 3
Surface Area 361.47 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-(7-bromoheptanoylamino)-3-phosphonooxy-butanoic acid
  • (2s,3r)-2-(7-bromoheptanoylamino)-3-phosphonooxy-butyric acid
  • (2s,3r)-2-[(7-bromo-1-oxoheptyl)amino]-3-phosphonooxybutanoic acid
  • 7-bhtp
  • 7-bromoheptanoylthreonine phosphate
CAS Number(s)
  • 114559-01-2
InChIKey FEHSUZJYJHJVAY-SCZZXKLOSA-N
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Elements C H O N P Br