(2R,3S,4R,5R)-4-Amino-2-({[(2R,3S,4R,5R)-4-Amino-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-(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 C19H20N10O13P2
IUPAC Name (2s,3r)-4-[[(2r,3s,5r)-4-imino-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-3-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]tetrahydrofuran-2-yl]methoxy]-3-(isocyanomethoxy)-2-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]butanenitrile; isocyanomethylimino(oxo)methane
Molecular Mass 658.369 g·mol−1
Heat of Formation -2530.3 ± 16.7 kJ·mol−1
Dipole Moment 15.76 ± 1.08 D
Volume 685.25 Å 3
Surface Area 544.47 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-guanylic acid, 3'-amino-3'-deoxycytidylyl-(5'-3')-3'-amino-3'-deoxy-
  • 5'-phosphoryl-(3'-amino-3'-deoxyguanylyl)-(3'-5')-3'-amino-3'-deoxycytidine
  • [(2r,3s,4r,5r)-4-amino-2-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-keto-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-5-(2-amino-6-keto-3h-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-amino-2-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxo-1-pyrimidinyl)-3-phosphonooxy-2-tetrahydrofuranyl]methoxymethyl]-5-(2-amino-6-oxo-3h-purin-9-yl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-amino-2-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methoxymethyl]-5-(2-amino-6-oxo-3h-purin-9-yl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-amino-2-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-5-(2-amino-6-oxo-3h-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-4-amino-2-[[(2r,3s,4r,5r)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(2-amino-6-oxo-3h-purin-9-yl)oxolan-3-yl] dihydrogen phosphate
  • padgdc
CAS Number(s)
  • 109679-54-1
InChIKey ICCNTHLFMSAJHY-KZLWWIKISA-N
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