Structure

Gentiobiose

CAS
554-91-6
Catalog Number
ACM554916
Category
Other Products
Molecular Weight
342.3
Molecular Formula
C12H22O11

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Specification

Synonyms
Gentiobiose, beta-Gentiobiose, melibiose, MolPort-004-956-057, CPD-3605, CID441422, SBB012564, ZINC04097481, NCGC00142607-01, C08240, 554-91-6, 5996-00-9
IUPAC Name
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Canonical SMILES
C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O
InChI Key
DLRVVLDZNNYCBX-LIZSDCNHSA-N
Boiling Point
662.8ºC at 760 mmHg
Melting Point
195-197ºC (dec.)
Flash Point
354.6ºC
Density
1.76 g/cm³
Appearance
WHITE TO OFF-WHITE POWDER
Exact Mass
342.11600
H-Bond Acceptor
11
H-Bond Donor
8
WGK Germany
3
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