Ethyl N-({[(Ethoxymethyl)(Thioxo)Phosphonio]Sulfanyl}Acetyl)-L-Valinate

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Properties Simple | Detailed

Formula C12H23NO4PS2+
IUPAC Name [2-[[(1s)-1-ethoxycarbonyl-2-methyl-propyl]amino]-2-oxo-ethyl]sulfanyl-(ethoxymethyl)-thioxo-phosphonium
Molecular Mass 340.419 g·mol−1
Heat of Formation 1992.3 ± 16.7 kJ·mol−1
Dipole Moment 12.32 ± 1.08 D
Volume 386.31 Å 3
Surface Area 351.4 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[[(1s)-1-ethoxycarbonyl-2-methyl-propyl]amino]-2-oxo-ethyl]sulfanyl-(ethoxymethyl)-thioxo-phosphonium
  • [[2-[[(1s)-1-carbethoxy-2-methyl-propyl]amino]-2-keto-ethyl]thio]-(ethoxymethyl)-thioxo-phosphonium
  • [[2-[[(1s)-1-ethoxycarbonyl-2-methylpropyl]amino]-2-oxoethyl]thio]-(ethoxymethyl)-thioxophosphonium
  • ethoxymethyl-[2-[[(2s)-1-ethoxy-3-methyl-1-oxo-butan-2-yl]amino]-2-oxo-ethyl]sulfanyl-sulfanylidene-phosphanium
  • l-valine, n-(((ethoxymethylphosphinothioyl)thio)acetyl)-, ethyl ester, (s)-
  • wy 40770
  • wy-40770
CAS Number(s)
  • 61425-54-5
InChIKey DALMKJQVYVEIQV-NSHDSACASA-O
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