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N-acetyl-D-Lactosamine

CAT: 0127-BUP06558Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06558Size:5 mg
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CAS Number
32181-59-2
Synonyms
N-Acetyllactosamine
Purity
=98%
Smiles
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO

Chemical Information

N-Acetyllactosamine

N-acetyllactosamine is a beta-D-galactopyranosyl-(14)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre.

CAS Number32181-59-2
PubChem CID439271
IUPAC NameN-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Molecular FormulaC14H25NO11
Molecular Weight383.35
XLogP-4.7
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](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(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
KFEUJDWYNGMDBV-LODBTCKLSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyllactosamine
CAS: 32181-59-2
CID: 439271
Formula: C14H25NO11
MW: 383.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.35
XLogP3-4.7
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 Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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