O-Phosphono-N-(7-Sulfanylheptanoyl)-D-Allothreonine

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Properties Simple | Detailed

Formula C11H22NO7PS
IUPAC Name (2r,3r)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
Molecular Mass 343.334 g·mol−1
Heat of Formation -1763.8 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 398.68 Å 3
Surface Area 328.36 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-(7-mercaptoheptanoylamino)-3-phosphonooxy-butyric acid
  • (2r,3r)-2-[(7-mercapto-1-oxoheptyl)amino]-3-phosphonooxybutanoic acid
  • (2r,3r)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
  • 7-mercaptoheptanoyl-o-phospho-l-threonine
  • 7-mercaptoheptanoylthreonine phosphate
  • 7-thioheptanoyl-threonine o-phosphate
  • l-threonine, n-(7-mercapto-1-oxoheptyl)-, dihydrogen phosphate (ester)
  • mhtp
CAS Number(s)
  • 104302-77-4
InChIKey JBJSVEVEEGOEBZ-PSASIEDQSA-N
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