3-(Nitrososulfanyl)-D-Valine

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Properties Simple | Detailed

Formula C5H10N2O3S
IUPAC Name (2s)-2-amino-3-methyl-3-nitrososulfanyl-butanoic acid
Molecular Mass 178.209 g·mol−1
Heat of Formation -354.9 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 203.77 Å 3
Surface Area 189.37 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-methyl-3-(nitrosothio)butanoic acid
  • (2s)-2-amino-3-methyl-3-(nitrosothio)butyric acid
  • (2s)-2-amino-3-methyl-3-nitrososulfanyl-butanoic acid
  • (2s)-2-amino-3-methyl-3-nitrososulfanylbutanoic acid
  • d-valine, 3-(nitrosothio)-
  • s-nitroso-3-mercaptovaline
  • s-nitrosopenicillamine
CAS Number(s)
  • 73466-15-6
InChIKey QLPXHECKUSZTMH-VKHMYHEASA-N
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DOI
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