2-Aminoethyl [(2S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C11H20N4O9P2+
IUPAC Name [2-aminoethoxy(hydroxy)phosphoryl] [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 414.245 g·mol−1
Heat of Formation -2121.3 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 440.82 Å 3
Surface Area 352.4 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2-aminoethoxy-hydroxy-phosphoryl) [(2s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxy-phosphoryl) [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxy-phosphoryl) [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxyphosphoryl) [(2s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • (2-aminoethoxy-hydroxyphosphoryl) [(2s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • 2',3'-dideoxycytidine, 5'-diphosphoethanolamine-
  • ddcdp ethanolamine
CAS Number(s)
  • 130036-23-6
InChIKey GBUOFJVOGQHJIM-WCBMZHEXSA-N
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