5'-O-[({(2S)-2-Amino-5-[(Diaminomethylene)Amino]Pentanoyl}Oxy)(Hydroxy)Phosphoryl]Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H26N9O8P
IUPAC Name [(2s)-5-[bis(λ1-azanyl)methyleneamino]-2-λ1-azanyl-pentanoyl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-λ1-azanylpurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 503.407 g·mol−1
Heat of Formation -1448.1 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 544.24 Å 3
Surface Area 476.82 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-guanidino-valeric acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • (2s)-2-amino-5-guanidinopentanoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-5-(diaminomethylideneamino)pentanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-5-guanidino-pentanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2s)-2-amino-5-(diaminomethylideneamino)pentanoate
  • l-arginine, monoanhydride with 5'-adenylic acid
CAS Number(s)
  • 15470-08-3
InChIKey AJYPLWAQPDERQG-TWBCTODHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N