Methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxylate

Substructure search Find similar structures

Basic information

CAS: 61133-96-8
Standard SMILES: COC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N
InChIKey: FSALOBZWHYICLM-UHFFFAOYSA-N
Molecular formula: C10H15N3O6
Average molar mass: 273.24 g/mol
Monoisotopic mass: 273.09608521

Names & identifiers

Preferred name: Methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxylate
IUPAC: methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxylate

Names & synonyms

61133-96-8methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxylateNSC286323DTXSID40314592NSC-286323Methyl 5-amino-1-pentofuranosyl-1H-imidazole-4-carboxylate

Database identifiers

CAS: 61133-96-8
PubChem CID: 323713
DTXSID: DTXSID40314592

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 140 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 343

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…