5-(3-Furyl)-6-aza-2'-deoxyuridine

HCID 512673

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 100244-31-3
Standard SMILES: O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)nc1-c1ccoc1
InChIKey: ICOUJRSYGBMUAI-DJLDLDEBSA-N
Molecular formula: C12H13N3O6
Average molar mass: 295.25 g/mol
Monoisotopic mass: 295.08043514

Names & identifiers

Preferred name: 5-(3-Furyl)-6-aza-2'-deoxyuridine
IUPAC: 6-(furan-3-yl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione

Names & synonyms

5-(3-Furyl)-6-aza-2'-deoxyuridine100244-31-36-(Furan-3-yl)-2-((2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,2,4-triazine-3,5(2H,4H)-dione6-(furan-3-yl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dioneDTXSID001430621,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(3-furanyl)-2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6-(furan-3-yl)-1,2,4-triazine-3,5(2H,4H)-dione6-(3-furyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazine-3,5-dione

Database identifiers

CAS: 100244-31-3
PubChem CID: 512673
DTXSID: DTXSID00143062

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 125 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 482

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…