[(9-{(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Phosphonooxy)Methyl]Tetrahydro-2-Furanyl}-9H-Purin-6-Yl)Amino]Acetic Acid

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Properties Simple | Detailed

Formula C12H16N5O9P
IUPAC Name 2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]acetic acid
Molecular Mass 405.257 g·mol−1
Heat of Formation -1679.5 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 407.78 Å 3
Surface Area 355.68 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-6-purinyl]amino]acetic acid
  • 2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]acetic acid
  • 2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]ethanoic acid
  • 2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]acetic acid
  • glycine, n-(9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purin-6-yl)-
  • n(6)-carboxymethyl-5'-adenosine monophosphate
  • n(6)-carboxymethyl-5'-amp
  • ncmamp
CAS Number(s)
  • 77133-59-6
InChIKey WLOAEWNLYCRMGZ-JJNLEZRASA-N
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