1,2-Diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one

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Basic information

CAS: 19039-33-9
Standard SMILES: Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)n1N
InChIKey: PJBTXTKAGXQCNH-UHFFFAOYSA-N
Molecular formula: C10H14N6O5
Average molar mass: 298.26 g/mol
Monoisotopic mass: 298.10256757

Names & identifiers

Preferred name: 1,2-Diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
IUPAC: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one

Names & synonyms

19039-33-91,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one1-AminoguanosineNSC112521DTXSID20940595PJBTXTKAGXQCNH-UHFFFAOYSA-NNSC-1125211-Amino-2-imino-9-pentofuranosyl-1,2,3,9-tetrahydro-6H-purin-6-one1,2-Diamino-9-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one

Database identifiers

CAS: 19039-33-9
PubChem CID: 270262
DTXSID: DTXSID20940595

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 172 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 475

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Compound notes

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