Glc(a1-2)Glc(a1-2)Glc(a1-1a)Glc
PubChem CID
91859797
Structure
Molecular Formula
Synonyms
- CHEBI:156795
- Glc(a1-2)Glc(a1-2)Glc(a1-1a)Glc
- WURCS=2.0/1,4,3/[a2122h-1a_1-5]/1-1-1-1/a1-b1_b2-c1_c2-d1
- (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- alpha-D-gluco-hexopyranosyl alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranoside
Molecular Weight
666.6 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2015-09-10
- Modify:2025-01-11
Description
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is an oligosaccharide.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Glc(a1-2)Glc(a1-2)Glc(a1-1a)Glc
LINUCS
[][a-D-Glcp]{[(2+1)][a-D-Glcp]{[(2+1)][a-D-Glcp]{}}}
IUPAC
alpha-D-gluco-hexopyranosyl alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranoside
Permethylated Mass
Monosaccharide Composition
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C24H42O21/c25-1-5-9(29)13(33)17(37)21(39-5)43-19-15(35)11(31)7(3-27)41-23(19)44-20-16(36)12(32)8(4-28)42-24(20)45-22-18(38)14(34)10(30)6(2-26)40-22/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
FYZMFKYLNFAHEE-UGPJRSGNSA-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]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)O)CO)O)O)O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C24H42O21
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- CHEBI:156795
- Glc(a1-2)Glc(a1-2)Glc(a1-1a)Glc
- WURCS=2.0/1,4,3/[a2122h-1a_1-5]/1-1-1-1/a1-b1_b2-c1_c2-d1
- (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- alpha-D-gluco-hexopyranosyl alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranoside
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
666.6 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-7.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
14
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
21
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
666.22185834 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
666.22185834 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
348 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
45
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
918
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
20
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChEBI(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:156795
- GlyGen
- PubChem
- Glycan Naming and Subsumption Ontology (GNOme)GNOme
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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