Cis-Acetiamine

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Properties Simple | Detailed

Formula C16H22N4O4S
IUPAC Name [(z)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate
Molecular Mass 366.435 g·mol−1
Heat of Formation -658.8 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 427.31 Å 3
Surface Area 310.99 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-acetylthio-4-(n-(4-amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-pentenyl acetat
  • [(z)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate
  • [(z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
  • [(z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate
  • acetic acid [(z)-3-(acetylthio)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]pent-3-enyl] ester
  • acetic acid [(z)-3-(acetylthio)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] ester
  • acetic acid, thio-, s-ester with n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester) (8ci)
  • dat (van)
  • ethanethioic acid, s-(1-(2-(acetyloxy)ethyl)-2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-propenyl) ester (9ci)
  • n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide o,s-diacetate
InChIKey ISIPQAHMLLFSFR-GDNBJRDFSA-N
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