5'-(Carbamoylamino)-5'-Deoxyadenosine

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Properties Simple | Detailed

Formula C11H15N7O4
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylurea
Molecular Mass 309.281 g·mol−1
Heat of Formation -505.4 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 334.77 Å 3
Surface Area 281.34 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methylurea
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylurea
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylurea
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylurea
InChIKey MRVWQDQRJFAPMW-KQYNXXCUSA-N
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