{(3Ar,4R,6R,6Ar)-6-[2-(Butyrylamino)-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl]-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl}Methyl Butyrate

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Properties Simple | Detailed

Formula C18H24N5O9P
IUPAC Name formaldehyde; 2-[(z)-(3-methyleneoxiran-2-ylidene)amino]-9-[2-oxido-2-oxo-4-(oxomethylene)-6h-furo[3,4-d][1,3,2]dioxaphosphol-6-yl]-8h-purine-1,3-diium-6-one; prop-1-yne
Molecular Mass 485.385 g·mol−1
Heat of Formation -1672.4 ± 16.7 kJ·mol−1
Dipole Moment 10.14 ± 1.08 D
Volume 524.03 Å 3
Surface Area 455.64 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,4r,5r)-2-[2-(butanoylamino)-6-oxo-3h-purin-9-yl]-7-hydroxy-7-oxo-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]methyl butanoate
  • butanoic acid [(1r,2r,4r,5r)-7-hydroxy-7-oxo-2-[6-oxo-2-(1-oxobutylamino)-3h-purin-9-yl]-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]methyl ester
  • butyramide, n-(1,6-dihydro-6-oxo-9-beta-d-ribofuranosyl-9h-purin-2-yl)-, cyclic hydrogen phosphate butyrate (ester)
  • butyric acid [(1r,2r,4r,5r)-2-(2-butyramido-6-keto-3h-purin-9-yl)-7-hydroxy-7-keto-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]methyl ester
  • cyclic dibutyryl gmp
  • cyclic n2-2'-0-dibutyryl-gmp
  • dibutyryl 3',5'-cyclic gmp
  • dibutyryl cgmp
  • dibutyryl cyclic gmp
  • dibutyryl cylic gmp
  • guanosine, n-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
  • n(sup 2),o(sup 2)'-dibutyryl cgmp
  • n(sup 2),o(sup 2)'-dibutyryl cyclic gmp
  • pdsp1_001090
  • pdsp2_001074
CAS Number(s)
  • 32266-35-6
InChIKey QYBMFOHWPCKWQB-KRQFVHPKSA-N
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