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Cyclic AMP Sodium

CAT: 0127-OR1030937-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1030937-01Size:100 mg
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CAS Number
37839-81-9
Synonyms
Sodium; (4aR,6R,7R,7aS) -6- (6-aminopurin-9-yl) -2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
MDL Number
MFCD00069736
Purity
95%
Smiles
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-].[Na+]

Chemical Information

Cyclic AMP sodium
CAS Number37839-81-9
PubChem CID23669773
IUPAC Namesodium (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular FormulaC10H11N5NaO6P
Molecular Weight351.19
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity504
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-].[Na+]
InChI
InChI=1S/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey
BXJBFCKTIWRKMQ-MCDZGGTQSA-M
Chemical Structure
2D Structure
2D structure of Cyclic AMP sodium
CAS: 37839-81-9
CID: 23669773
Formula: C10H11N5NaO6P
MW: 351.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.19
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass351.03446437
Monoisotopic Mass351.03446437
Topological Polar Surface Area158 Ų
Heavy Atom Count23
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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