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4-O-beta-D-galactopyranosyl-D-galactopyranose

HCID 9548802
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Basic information

CAS
2152-98-9
Standard SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIKey
GUBGYTABKSRVRQ-HEJLOQJISA-N
Molecular formula
C12H22O11
Average molar mass
342.3 g/mol
Monoisotopic mass
342.11621151

Overview

Beta-D-galactopyranosyl-(1->4)-D-galactopyranose is a glycosylgalactose comprising two galactose units joined via an beta-(14) linkage.

Names & identifiers

Preferred name
4-O-beta-D-galactopyranosyl-D-galactopyranose
IUPAC
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
English name
4-beta-Galactobiose
Molecular formula
C12H22O11
Molecular weight
342.3

Names & synonyms

2152-98-94-O-beta-D-galactopyranosyl-D-galactopyranoseDTXSID20429537RefChem:623664GlyTouCan:G48027TRDTXCID60380370G48027TR4-O-(B-D-GALACTOPYRANOSYL)-D-GALACTOPYRANOSEbeta-D-galactopyranosyl-(1->4)-D-galactopyranose3-o-beta-d-galactopyranosyl-d-galactoseGal(beta1-4)Gal(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Show more names
GAL-BETA1-4GAL4-β-galactobiose4-b-Galactobioseβ1-4 Galactobioseβ-d-gal-(1→4)-d-gal4-beta-Galactobiose1,4-β-D-Galactobiose4-β-Galactobiose ,98%BETA-D-GAL-[1->4]-D-GAL4beta-Galactobiose >=90%
beta-D-Galp-(1->4)-D-Galpbeta-D-galactosyl-(1->4)-D-galactose?1-4Galactobiose(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triolGlucose Impurity 9Gal(b1-4)GalGAL?1-4GAL4beta-Galactobiose, >=90%

Properties

Computed structural properties

XLogP
-4.7
Topological polar surface area
190 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
11
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
382

Physicochemical properties

storage temp.
2 · 2-8°C
form
powder or solid
biological source
synthetic
InChI
InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11,12+/s3
InChIKey
GUBGYTABKSRVRQ-FBQYNQMYNA-N
SMILES
[C@H]1([C@H](O)[C@H](C(O)O[C@@H]1CO)O)O[C@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O |&1:0,1,3,7,12,13,15,16,18,r|
UNSPSC Code
12352201 · 12352201
NACRES
25 · NA.25
PPE
95 · Eyeshields, Gloves, type N95 (US)
WGK Germany
3 · 3
HS Code
29400090 · 29400090
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29400090
Storage Class
11 - Combustible Solids

Chemistry & industry

Additional notes

DefinitionChEBI: Beta-D-galactopyranosyl-(1->4)-D-galactopyranose is a glycosylgalactose comprising two galactose units joined via an beta-(1->4) linkage.

Related reactions

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Compound notes

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Database identifiers

CAS
2152-98-9
PubChem CID
9548802
DTXSID
DTXSID20429537
ChEBI
CHEBI:36226
Nikkaji
J1.538.195G