Glc(b1-3)[Glc(b1-4)]Gal
PubChem CID
91854870
Structure
Molecular Formula
Synonyms
- CHEBI:155367
- Glc(b1-3)[Glc(b1-4)]Gal
- WURCS=2.0/2,3,2/[a2112h-1x_1-5][a2122h-1b_1-5]/1-2-2/a3-b1_a4-c1
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-gluco-hexopyranosyl-(1->4)]-D-galacto-hexopyranose
Molecular Weight
504.4 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2015-09-10
- Modify:2025-01-18
Description
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is an oligosaccharide.
See also: Glc(?1-?)[Glc(?1-?)]Gal (broader).
Chemical Structure Depiction
SVG Image
WURCS
WURCS=2.0/2,3,2/[u2112h][a2122h-1b_1-5]/1-2-2/a3-b1_a4-c1
IUPAC Condensed
Glc(b1-3)[Glc(b1-4)]Gal
SVG Image
IUPAC Condensed
Glc(b1-3)[Glc(b1-4)]Gal
LINUCS
[][D-Galp]{[(3+1)][b-D-Glcp]{}[(4+1)][b-D-Glcp]{}}
IUPAC
beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-gluco-hexopyranosyl-(1->4)]-D-galacto-hexopyranose
Permethylated Mass
Monosaccharide Composition
GlyCosmos Species
GlyCosmos Monoisotopic Mass
504.17
GlyCosmos Subsumption
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)13(28)15(14)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14+,15-,16?,17+,18+/m1/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
MLILOHBDBONATN-GJVUERLISA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO)O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H32O16
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- CHEBI:155367
- Glc(b1-3)[Glc(b1-4)]Gal
- WURCS=2.0/2,3,2/[a2112h-1x_1-5][a2122h-1b_1-5]/1-2-2/a3-b1_a4-c1
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-gluco-hexopyranosyl-(1->4)]-D-galacto-hexopyranose
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
504.4 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-6.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
11
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
16
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
504.16903493 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
504.16903493 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
269 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
34
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
641
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
14
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Glc(?1-?)[Glc(?1-?)]Gal (broader)
- ChEBI(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:155367
- GlyCosmos Glycoscience PortalLICENSEAll copyrightable parts of the datasets in GlyCosmos are under the Creative Commons Attribution (CC BY 4.0) License.https://glycosmos.org/license
- GlyTouCan Project
- GlyGen
- PubChem
- Glycan Naming and Subsumption Ontology (GNOme)GNOme
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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