Phenyl beta-D-glucoside

• Phenyl beta-D-glucoside
• bmse000770 - data

InCHi String:
InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1

canonical SMILES:
C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
isomeric SMILES:
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O


PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

PUBCHEM iupac TRADITIONAL NAME
(2R,3S,4S,5R,6S)-2-methylol-6-phenoxy-tetrahydropyran-3,4,5-triol

PUBCHEM iupac OPENEYE NAME
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol

PUBCHEM iupac SYSTEMATIC NAME
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol



PubChem Substance (SID):   111677895   5995   813190
PubChem Compound (CID):   65080
KEGG: Compound ID   C03097
CAS Registry IDs:   1464-44-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 62505-72-0   MMCD cq_01874   BioCyc CPD0-1667   NIAID 186138   ZINC ZINC04096022