2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethylboronic acid

Systemtic Name: 2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethylboronic acid Openeye Name: 2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethylboronic acid CAS Name: 2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]ethylboronic acid IUPAC Name: 2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]ethylboronic acid Traditional Name: 2-[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]ethylboronic acid Formula: C11H16BN5O4 MolecularWeight: 293.08684

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Descriptors Computed from Structure

Canonical SMILES:

B(CCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)(O)O

Isomeric SMILES

B(CC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)O)(O)O

InChI

InChI=1S/C11H16BN5O4/c13-10-9-11(15-4-14-10)17(5-16-9)8-3-6(18)7(21-8)1-2-12(19)20/h4-8,18-20H,1-3H2,(H2,13,14,15)/t6-,7+,8+/m0/s1