Pantetheine

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Properties Simple | Detailed

Formula C11H22N2O4S
IUPAC Name (2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide
Molecular Mass 278.368 g·mol−1
Heat of Formation -892.8 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 345.09 Å 3
Surface Area 279.59 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
  • (2r)-2,4-dihydroxy-n-[3-(2-mercaptoethylamino)-3-oxopropyl]-3,3-dimethylbutanamide
  • (2r)-2,4-dihydroxy-n-[3-keto-3-(2-mercaptoethylamino)propyl]-3,3-dimethyl-butyramide
  • (r)-pantetheine
InChIKey ZNXZGRMVNNHPCA-VIFPVBQESA-N
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