3-(Nitrososulfanyl)-D-Valine

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Properties Simple | Detailed

Formula C5H10N2O3S
IUPAC Name (2r)-2-amino-3-methyl-3-nitrososulfanyl-butanoic acid
Molecular Mass 178.209 g·mol−1
Heat of Formation -356.0 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 203.06 Å 3
Surface Area 187.52 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-methyl-3-(nitrosothio)butanoic acid
  • (2r)-2-amino-3-methyl-3-(nitrosothio)butyric acid
  • (2r)-2-amino-3-methyl-3-nitrososulfanyl-butanoic acid
  • (2r)-2-amino-3-methyl-3-nitrososulfanylbutanoic acid
InChIKey QLPXHECKUSZTMH-GSVOUGTGSA-N
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