Molecular Identity
13718-94-0
(3S,4R,5R)-1,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
PubChem CID: 83686
2D Structure
Properties
C12H22O11
Molecular Formula
342.30
Molecular Weight
g/mol
342.1162
Exact Mass
Da
-4.8
XLogP
Drug-like (Lipinski: < 5)
197
TPSA
May have limited oral absorption
8
H-Bond Donors
11
H-Bond Acceptors
378
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
13718-94-0V59P50X4UYISOMALTULOSE ANHYDROUSDTXSID90929736RefChem:169603GlyTouCan:G91589FQDTXCID601770698G91589FQ6-O alpha-D-glucosylpyranosyl-D-fructose237-282-1(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl)methoxy)oxane-3,4,5-triol(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl)methoxy)oxane-3,4,5-triol6-O alpha-D-glucopyranosyl-D-fructose6-O-alpha-D-Glucopyranosyl-D-fructofuranoseCHEBI:18394
Data from PubChem (NCBI)
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Drug Network
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