6-(hydroxymethyl)-9-pentofuranosyl-6,9-dihydro-3H-purine

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Basic information

CAS: 29699-93-2
Standard SMILES: OCC1OC(n2cnc3c2NC=N[C@@H]3CO)C(O)C1O
InChIKey: IHCROVKYMVBOKC-JOAPDPHISA-N
Molecular formula: C11H16N4O5
Average molar mass: 284.27 g/mol
Monoisotopic mass: 284.11206962

Names & identifiers

Preferred name: 6-(hydroxymethyl)-9-pentofuranosyl-6,9-dihydro-3H-purine
IUPAC: 2-(hydroxymethyl)-5-[(6S)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol

Names & synonyms

DTXSID30952149NSC249328NSC-2493286-(hydroxymethyl)-9-pentofuranosyl-6,9-dihydro-3H-purine(6S)-6-(Hydroxymethyl)-9-pentofuranosyl-6,9-dihydro-3H-purine1H-Purine-6-methanol,9-dihydro-9-.beta.-D-ribofuranosyl-, (R)-

Database identifiers

CAS: 29699-93-2
PubChem CID: 317499
DTXSID: DTXSID30952149

Properties

Computed structural properties

XLogP: -3
Topological polar surface area: 132 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 384

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