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(2S,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
(Q27287232)
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From Wikidata
chemical compound
isomaltitol
6-O-α-D-glucopyranosyl-D-glucitol
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
(2S,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
chemical compound
isomaltitol
6-O-α-D-glucopyranosyl-D-glucitol
Statements
instance of
type of chemical entity
0 references
subclass of
(3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
0 references
mass
344.132±0
dalton
1 reference
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
stereoisomer of
beta-D-Galp-(1->6)-D-Gal-OH
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alpha-D-Galp-(1->6)-D-Glc-OH
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alpha-D-Manp-(1->1)-D-Man-OH
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alpha-D-Glcp-(1->6)-D-Gal-OH
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1-O-alpha-D-Glucopyranosyl-D-glucitol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1-O-beta-D-glucopyranosyl-D-mannitol
1 reference
based on heuristic
inferred from InChI
(2R,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
1 reference
based on heuristic
inferred from InChI
gentiobiitol
1 reference
based on heuristic
inferred from InChI
D-Glcp-(1->1)-D-Man-OH
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₄O₁₁
1 reference
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
canonical SMILES
C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O
1 reference
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O)O)O)O
1 reference
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
Identifiers
InChI
InChI=1S/C12H24O11/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/t4-,5+,6+,7+,8+,9+,10-,11+,12-/m0/s1
1 reference
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
InChIKey
SERLAGPUMNYUCK-YJOKQAJESA-N
1 reference
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
CAS Registry Number
534-73-6
2 references
stated in
Global Substance Registration System
UNII
QFA026JZX2
language of work or name
English
title
isomaltitol
(English)
retrieved
14 October 2016
InChIKey
SERLAGPUMNYUCK-YJOKQAJESA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=534-73-6
ChemSpider ID
84985
1 reference
stated in
ChemSpider
ChemSpider ID
84985
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
PubChem CID
94169
2 references
stated in
PubChem
PubChem CID
94169
language of work or name
English
title
Isomaltitol
(English)
retrieved
14 October 2016
matched by identifier from
InChIKey
InChIKey
SERLAGPUMNYUCK-YJOKQAJESA-N
ChEBI ID
152898
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H24O11/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/t4-,5+,6+,7+,8+,9+,10-,11+,12-/m0/s1
SureChEMBL ID
SCHEMBL371449
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SERLAGPUMNYUCK-YJOKQAJESA-N
UniChem compound ID
24518083
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID3074571
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
SERLAGPUMNYUCK-YJOKQAJESA-N
DSSTOX compound identifier
DTXCID1041423
0 references
EC number
208-605-3
1 reference
stated in
Global Substance Registration System
UNII
QFA026JZX2
language of work or name
English
title
isomaltitol
(English)
retrieved
14 October 2016
ECHA Substance Infocard ID
100.007.825
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.007.825
retrieved
27 December 2018
title
6-O-α-D-glucopyranosyl-D-glucitol
(English)
quotation
CAS no.: 534-73-6
(English)
UNII
QFA026JZX2
2 references
stated in
Global Substance Registration System
UNII
QFA026JZX2
language of work or name
English
title
isomaltitol
(English)
retrieved
14 October 2016
matched by identifier from
InChIKey
InChIKey
SERLAGPUMNYUCK-YJOKQAJESA-N
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(2S,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
(Q27287232)
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