3'-Amino-3'-Deoxythymidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H16N3O7P
IUPAC Name [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 321.224 g·mol−1
Heat of Formation -1559.3 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 339.16 Å 3
Surface Area 287.65 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-{(4s,5s,2r)-4-amino-5-[(phosphonooxy)methyl]oxolan-2-yl}-5-methyl-1,3-dihydropyrimidine-2,4-dione
  • 3'-amino-3'-deoxy-5'-thymidylic acid
  • 3'-amino-3'-deoxythymidine 5'-monophosphate
  • 3'-deoxy-3'-aminothymidine monophosphate
  • 5'-thymidylic acid, 3'-amino-3'-deoxy-
  • [(2s,3s,5r)-3-amino-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • amt-mp
  • phosphoric acid mono-[3-amino-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
CAS Number(s)
  • 42214-32-4
InChIKey BQZMHQZNZNBJNF-XLPZGREQSA-N
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