8-(6-Aminohexyl)Aminoadenosine-3',5'-Cyclic Monophosphate

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Properties Simple | Detailed

Formula C16H26N7O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-[6-amino-8-(6-aminohexylamino)purine-1,3,7-triium-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 443.395 g·mol−1
Heat of Formation -1084.6 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 485.63 Å 3
Surface Area 434.35 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-8-[6-amino-8-(6-aminohexylamino)-9-purinyl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • 8-(6-aminohexyl)aminoadenosine 3′:5′-cyclic monophosphate
InChIKey WCWLOZYNRVLFOG-SDBHATRESA-N
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