4-Phosphopantothenoylcysteine

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Properties Simple | Detailed

Formula C12H23N2O9PS
IUPAC Name (2r)-2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid
Molecular Mass 402.358 g·mol−1
Heat of Formation -2086.8 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 440.26 Å 3
Surface Area 377.29 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]-3-mercapto-propionic acid
  • (2r)-2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]-3-sulfanyl-propanoic acid
  • (2r)-2-[[3-[[(2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid
  • (r)-4'-phosphopantothenoyl-l-cysteine
  • n-[(r)-4'-phosphopantothenoyl]-l-cysteine
InChIKey XQYALQVLCNHCFT-CBAPKCEASA-N
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