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Galacto-N-biose

CAT: 0024-sc-257553DSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-257553DSize:25 mg
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CAS Number
20972-29-6

Chemical Information

2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranose

Beta-D-Galp-(1->3)-D-GalpNAc is an amino disaccharide consisting of D-galactopyranose at the non-reducing end joined by a (13) glycosidic linkage to N-acetyl-D-galactopyranosamine. It has a role as an epitope. It is a D-Galp-(1->3)-D-GalpNAc, an amino disaccharide and a galactosamine oligosaccharide.

CAS Number20972-29-6
PubChem CID441248
IUPAC NameN-[(3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Molecular FormulaC14H25NO11
Molecular Weight383.35
XLogP-4.2
Topological Polar Surface Area198
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity480
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1
InChIKey
HMQPEDMEOBLSQB-UITYFYQISA-N
Chemical Structure
2D Structure
2D structure of 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranose
CAS: 20972-29-6
CID: 441248
Formula: C14H25NO11
MW: 383.35
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.35
XLogP3-4.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass383.14276061
Monoisotopic Mass383.14276061
Topological Polar Surface Area198 Ų
Heavy Atom Count26
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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