9-[3-hydroxy-5-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
AlkaPlorer ID: AK487565
Synonym: None
IUPAC Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-1H-purin-6-one
Structure
SMILES: OCC1OC(OC2C(CO)OC(N3C=NC4=C(O)N=CN=C43)C2O)C(O)C(O)C1O
InChI: InChI=1S/C16H22N4O10/c21-1-5-8(23)9(24)10(25)16(29-5)30-12-6(2-22)28-15(11(12)26)20-4-19-7-13(20)17-3-18-14(7)27/h3-6,8-12,15-16,21-26H,1-2H2,(H,17,18,27)
InChIKey: PFEWWUARCYIUQY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligia exotica | Ligia | Ligiidae | Isopoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 430.37000000000006
TPSA？: 212.9
MolLogP？: -4.032399999999997
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|