1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide

HCID 301415

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Basic information

CAS: 31843-67-1
Standard SMILES: NC(=O)c1cn(C2OC(CO)C(O)C2O)nn1
InChIKey: LESHQDQAGXBXIL-UHFFFAOYSA-N
Molecular formula: C8H12N4O5
Average molar mass: 244.2 g/mol
Monoisotopic mass: 244.0807695

Names & identifiers

Preferred name: 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
IUPAC: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide

Names & synonyms

NSC1788361-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide31843-67-1SCHEMBL6676403DTXSID50306660NSC-1788361-Pentofuranosyl-1H-1,2,3-triazole-4-carboxamide

Database identifiers

CAS: 31843-67-1
PubChem CID: 301415
DTXSID: DTXSID50306660

Properties

Computed structural properties

XLogP: -2.7
Topological polar surface area: 144 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 304

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