N-{9-[(4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-9H-Purin-6-Yl}Benzamide

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Properties Simple | Detailed

Formula C17H16N5O7P
IUPAC Name n-[9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purine-1,3,7-triium-6-yl]benzamide
Molecular Mass 433.312 g·mol−1
Heat of Formation -1016.3 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 444.06 Å 3
Surface Area 393.34 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • adenosine, n-benzoyl-, cyclic 3',5'-(hydrogen phosphate)
  • bz-camp
  • n(6)-benzoyl camp
  • n(6)-benzoyl-cyclic amp
  • n(6)-benzoyladenosine 3',5'-cyclic monophosphate
  • n-[9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-yl]benzamide
  • n-[9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-6-purinyl]benzamide
  • n-[9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-yl]benzamide
CAS Number(s)
  • 30275-80-0
InChIKey NXYCBMGKNCJXIC-CNEMSGBDSA-N
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