6OS

Neplanocin-A


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Chemical Component Summary

NameNeplanocin-A
Synonyms(1S,2R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Identifiers(1~{S},2~{R},5~{R})-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
FormulaC11 H13 N5 O3
Molecular Weight263.253
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N
InChIInChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
InChIKeyXUGWUUDOWNZAGW-VDAHYXPESA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count3
Bond Count34
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL8771
PubChem 72968
ChEMBL CHEMBL8771
CCDC/CSD BEDLIF