| CAS Number | 70253-67-7 |
| Catalog Number | AG005KFT(AGN-PC-078JRV) |
| Chemical Name | N6-Monobutyryladenosine 3’:5’-Cyclic Monophosphate Sodium Salt |
| IUPAC Name | sodium;N-[9-(7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide |
| InChI | InChI=1S/C14H18N5O7P.Na/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11;/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20);/q;+1/p-1 |
| InChI Key | GEIVLDFSTXXVRY-UHFFFAOYSA-M |
| MDL Number | MFCD00037615 |
| Molecular Formula | C14H17N5NaO7P |
| Molecular Weight | 421.2776 |
| SMILES | [Na+].CCCC(=O)Nc1ncnc2c1ncn2[C@@H]3O[C@@H]4COP(=O)([O-])O[C@H]4[C@H]3O |
| Synonyms | 70253-67-7,
N6-Monobutyryladenosine 3':5'-cyclic monophosphate sodium salt,
N6-Monobutyryladenosine 3',
CTK8G1500,
FT-0765816,
GEIVLDFSTXXVRY-UHFFFAOYSA-M,
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| Complexity | 633 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 421.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.282g/mol |
| Monoisotopic Mass | 421.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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