5-[2-Amino-6-[(4-nitrophenyl)methylselanyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

HCID 296459

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Basic information

CAS: 52192-40-2
Standard SMILES: Nc1nc([Se]Cc2ccc([N+](=O)[O-])cc2)c2ncn(C3CC(O)C(CO)O3)c2n1
InChIKey: WYSNTRNNROUCTD-UHFFFAOYSA-N
Molecular formula: C17H18N6O5Se
Average molar mass: 465.3 g/mol
Monoisotopic mass: 466.05039

Names & identifiers

Preferred name: 5-[2-Amino-6-[(4-nitrophenyl)methylselanyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
IUPAC: 5-[2-amino-6-[(4-nitrophenyl)methylselanyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Names & synonyms

52192-40-2NSC1666205-[2-amino-6-[(4-nitrophenyl)methylselanyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-olDTXSID90304645NSC-1666209-(2-Deoxypentofuranosyl)-6-{[(4-nitrophenyl)methyl]selanyl}-9H-purin-2-amine

Database identifiers

CAS: 52192-40-2
PubChem CID: 296459
DTXSID: DTXSID90304645

Properties

Computed structural properties

Topological polar surface area: 165 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 577

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