chempirical

N-6,O-2′-Dibutyryladenosine cyclic 3′,5′-monophosphate sodium salt

C18H23N5NaO8PCAS 16980-89-5491.37 g/mol

Open in Covalent MOL file
OHNNNNNOOPO−OOOONa+
EsterEtherPhosphate

Properties

Molecular formula
C18H23N5NaO8P
Molar mass
491.37 g/mol
Exact mass
491.1182 Da
logP
1.96Crippen estimate
Polar surface area
167.5 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
7
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
16980-89-5
SMILES
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1OC(=O)CCC.[Na+]
InChIKey
WAOODRHZYQRSDS-JBVYASIDSA-N
InChI
InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/t10-,14-,15-,18-;/m1./s1

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Names and synonyms

19 names · show all
  • Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate) 2′-butanoate, sodium salt (1:1)
  • Butyramide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-, cyclic hydrogen phosphate butyrate (ester), monosodium salt
  • Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate) 2′-butanoate, monosodium salt
  • 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, adenosine deriv.
  • Dibutyryl cyclic AMP monosodium salt
  • N6,2′-O-Dibutyryl-3′,5′-cyclic AMP sodium salt
  • Sodium dibutyryl 3′,5′-cyclic AMP
  • Dibutyryl cyclic AMP sodium salt
  • Dibutyryl cyclic AMP sodium
  • N6,2′-O-Dibutyryladenosine-3′,5′-monophosphate monosodium salt
  • Monosodium dibutyryl cyclic AMP
  • Dibutyryl 3′,5′-cyclic AMP sodium salt
  • N6,O2′-Dibutyryl-3′,5′-cyclic AMP sodium salt
  • Sodium dibutyryl cAMP
  • Dibutyryl-cAMP sodium salt
  • Bucladesine sodium
  • Sodium N6,2′-O-dibutyryladenosine 3′,5′-cyclic phosphate
  • Bucladesine sodium salt
  • DC 2797

Work with N-6,O-2′-Dibutyryladenosine cyclic 3′,5′-monophosphate sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibutyryl camp362-74-355 % similar Adenosine cyclic 3′,5′-phosphate sodium salt37839-81-952 % similar Trisodium adenosine 5′-diphosphate2092-65-142 % similar Sodium adenosine 5′-diphosphate20398-34-941 % similar Adenosine-5′-diphosphate disodium salt16178-48-641 % similar Atp disodium987-65-540 % similar Adenosine 5′-monophosphate disodium4578-31-839 % similar Disodium inosinate4691-65-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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