(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(6-{[(5-hydroxypyridin-2-yl)methyl]amino}purin-9-yl)oxolane-3,4-diol

AlkaPlorer ID: AK087345

Synonym: None

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(5-hydroxypyridin-2-yl)methylamino]purin-9-yl]oxolane-3,4-diol

Structure

SMILES: OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=C(O)C=N4)N=CN=C32)[C@H](O)[C@@H]1O

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InChI: InChI=1S/C16H18N6O5/c23-5-10-12(25)13(26)16(27-10)22-7-21-11-14(19-6-20-15(11)22)18-3-8-1-2-9(24)4-17-8/h1-2,4,6-7,10,12-13,16,23-26H,3,5H2,(H,18,19,20)/t10-,12-,13-,16-/m1/s1

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InChIKey: IRZNDKKKFMEHTG-XNIJJKJLSA-N

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Reference

PubChem CID: 3081220

CAS: 123369-41-5

NPASS: NPC102777

Source

Species Genus Family Order Class Phylum Kingdom Domain
Armillaria mellea Armillaria Physalacriaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 374.3570000000001

TPSA: 158.67

MolLogP: -0.8495000000000006

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information