D-Panthenol

• D-Panthenol
• bmse000445 - data

InCHi String:
InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1

canonical SMILES:
CC(C)(CO)C(C(=O)NCCCO)O
isomeric SMILES:
CC(C)(CO)[C@H](C(=O)NCCCO)O


PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

PUBCHEM iupac TRADITIONAL NAME
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butyramide

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide



PubChem Substance (SID):   85165234   24886961   12075278
PubChem Compound (CID):   131204
KEGG: Compound ID   C05944
CAS Registry IDs:   81-13-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 76200_FLUKA   ChemBank SPBio_002004   DiscoveryGate 733846   ZINC ZINC01530303   PDSP Prestwick_529