| CAS Number | 119824-66-7 |
| Catalog Number | AG01EAWO(AGN-PC-0NZYPA) |
| Chemical Name | N-(2-Phenoxyacetyl)guanosine |
| IUPAC Name | N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-phenoxyacetamide |
| InChI | InChI=1S/C18H19N5O7/c24-6-10-13(26)14(27)17(30-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)7-29-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1 |
| InChI Key | FOOYAXZEBFXEJD-IWCJZZDYSA-N |
| MDL Number | MFCD30748935 |
| Molecular Formula | C18H19N5O7 |
| Molecular Weight | 417.3728 |
| SMILES | c1ccc(cc1)OCC(=O)Nc2[nH]c3c(c(=O)n2)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| Synonyms | N-(Phenoxyacetyl)guanosine,
2-N-phenoxyacetyl guanosine,
ZINC8762256,
AKOS030491412,
MCULE-2538399848,
119824-66-7,
C18H19N5O7,
|
| Complexity | 686 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.378g/mol |
| Monoisotopic Mass | 417.128g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 168A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number