IPTG

• IPTG
• bmse000829 - data

InCHi String:
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5?,6-,7+,8?,9-/m0/s1

canonical SMILES:
CC(C)SC1C(C(C(C(O1)CO)O)O)O
isomeric SMILES:
CC(C)S[C@H]1C([C@@H]([C@H](C(O1)CO)O)O)O


PUBCHEM iupac NAME
(3R,4R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol

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

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

PUBCHEM iupac CAS NAME
(3R,4R,6S)-2-(hydroxymethyl)-6-(propan-2-ylthio)oxane-3,4,5-triol

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



PubChem Substance (SID):   126596869   24896093
PubChem Compound (CID):   16217509
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 367-93-1   MDL number MFCD00063273   Beilstein Registry Number 4631   EC Number 206-703-0   Sigma-Aldrich I6758_SIAL