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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:192267 - 1-
O
-α-
D
-glucopyranosyl-
D
-mannitol dihydrate
Main
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ChEBI Name
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol dihydrate
ChEBI ID
CHEBI:192267
ChEBI ASCII Name
1-O-alpha-D-glucopyranosyl-D-mannitol dihydrate
Definition
A hydrate that is the dihydrate form of 1-
O
-α-
D
-glucopyranosyl-
D
-mannitol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H24O11.H2O.H2O
Net Charge
0
Average Mass
380.343
Monoisotopic Mass
380.15299
InChI
InChI=1S/C12H24O11.2H2O/c13-
1-
4(15)
7(17)
8(18)
5(16)
3-
22-
12-
11(21)
10(20)
9(19)
6(2-
14)
23-
12;;/h4-
21H,1-
3H2;2*1H2/t4-
,5-
,6-
,7-
,8-
,9-
,10+,11-
,12+;;/m1../s1
InChIKey
BTKQLFSKIFGYOF-MASOBFGXSA-N
SMILES
O.O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol dihydrate (
CHEBI:192267
)
has part
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol (
CHEBI:192265
)
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol dihydrate (
CHEBI:192267
)
is a
hydrate (
CHEBI:35505
)
Incoming
isomalt (
CHEBI:150326
)
has part
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol dihydrate (
CHEBI:192267
)
IUPAC Name
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol dihydrate
Synonym
Source
1-
O
-α-
D
-glucopyranosyl-
D
-mannitol—water (1/2)
IUPAC
Manual Xref
Database
19920642
ChemSpider
View more database links
Registry Number
Type
Source
174060-42-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
19327398
PubMed citation
Europe PMC
Last Modified
27 May 2022