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

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Properties Simple | Detailed

Formula C14H18N5O6P
IUPAC Name n-[9-[(2s,4ar,6r,7as)-2-hydroxy-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]butanamide
Molecular Mass 383.296 g·mol−1
Heat of Formation -1052.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 403.86 Å 3
Surface Area 364.81 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • adenosine, 2'-deoxy-n-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
  • mbd-camp
  • n(6)-monobutyryl-2'-deoxy camp
  • n(6)-monobutyryl-2'-deoxycyclic adenosine monophosphate
  • n-[9-[(1s,6r,8r)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-yl]butyramide
  • n-[9-[(1s,6r,8r)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-6-purinyl]butanamide
  • n-[9-[(1s,6r,8r)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-yl]butanamide
CAS Number(s)
  • 61866-09-9
InChIKey PGBAADZFIQHGBW-IQJOONFLSA-N
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