3'-Azido-3'-Deoxy-5'-O-L-Isoleucylthymidine

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Properties Simple | Detailed

Formula C16H25N6O5
IUPAC Name [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2s,3s)-2-amino-3-methyl-pentanoate
Molecular Mass 381.407 g·mol−1
Heat of Formation -636.4 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 444.46 Å 3
Surface Area 386.74 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-amino-3-methyl-valeric acid [(2s,3s,5r)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester
  • (2s,3s)-2-amino-3-methylpentanoic acid [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl ester
  • 125780-96-3 (trifluoroacetate)
  • 5'-isoleucinyl-3'-azido-3'-deoxythymidine
  • 5'-isoleucyl 3'-azido-3'-deoxythymidine
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (2s,3s)-2-amino-3-methyl-pentanoate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2s,3s)-2-amino-3-methyl-pentanoate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2s,3s)-2-amino-3-methylpentanoate
  • iazt
  • isoleucinyl-azt
  • l-isoleucine, 5'-ester with 3'-azido-3'-deoxythymidine
CAS Number(s)
  • 125780-95-2
InChIKey QUANSGVUESEHKX-FXAPSIEYSA-N
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