| CAS Number | 570410-72-9 |
| Catalog Number | AG00EEZX(AGN-PC-0WBMHN) |
| Chemical Name | N-(Aminoiminomethyl)-N′-(2-deoxy-D-erythro-pentofuranosyl)urea |
| IUPAC Name | 1-(diaminomethylidene)-3-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]urea |
| InChI | InChI=1S/C7H14N4O4/c8-6(9)11-7(14)10-5-1-3(13)4(2-12)15-5/h3-5,12-13H,1-2H2,(H5,8,9,10,11,14)/t3-,4-,5?/m1/s1 |
| InChI Key | VGUQMXPKKFTIJO-ZZKAVYKESA-N |
| Molecular Formula | C7H14N4O4 |
| Molecular Weight | 218.2105 |
| SMILES | N(C(NC(=N)N)=O)C1O[C@H](CO)[C@@H](O)C1 |
| Synonyms | 570410-72-9,
DTXSID50747498,
D-2'-Deoxyribofuranosyl-3-guanylurea(|A/|A-Mixture),
N-(Aminoiminomethyl)-N'-(2-deoxy-D-erythro-pentofuranosyl)urea,
2-Deoxy-N-[(diaminomethylidene)carbamoyl]-D-threo-pentofuranosylamine,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.213g/mol |
| Monoisotopic Mass | 218.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number