(2R,3S,4R,5R)-4-Amino-2-({[(2S,3R,4R,5R)-3-Amino-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-(Phosphonooxy)Tetrahydro-2-Furanyl]Methoxy}Methyl)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)Tetrahydro-3-Furanyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H21N10O13P2
IUPAC Name [(2r,3r,4r,5s)-4-amino-5-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-2-(2-amino-6-oxo-3h-purin-9-yl)oxolan-3-yl] dihydrogen phosphate
Molecular Mass 659.377 g·mol−1
Heat of Formation -2522.0 ± 16.7 kJ·mol−1
Dipole Moment 14.46 ± 1.08 D
Volume 669.6 Å 3
Surface Area 539.37 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 3'-amino-3'-deoxyguanylyl-(5'-3')-3'-amino-3'-deoxy-
  • 5'-phosphoryl-(3'-amino-3'-deoxycytidylyl)-(3'-5')-3'-amino-3'-deoxyguanosine
  • [(2r,3r,4r,5s)-4-amino-5-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-keto-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-2-(2-amino-6-keto-3h-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5s)-4-amino-5-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxo-1-pyrimidinyl)-3-phosphonooxy-2-tetrahydrofuranyl]methoxymethyl]-2-(2-amino-6-oxo-3h-purin-9-yl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3r,4r,5s)-4-amino-5-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methoxymethyl]-2-(2-amino-6-oxo-3h-purin-9-yl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5s)-4-amino-5-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-2-(2-amino-6-oxo-3h-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • padcdg
CAS Number(s)
  • 109679-55-2
InChIKey XFOPBXYCTCFAKU-KZLWWIKISA-N
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