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Methyl a-N-acetyllactosamine

CAT: 0926-OM171721-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-OM171721-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85193-95-9
Smiles
CC (=O) NC1C (C (C (OC1OC) CO) OC2C (C (C (C (O2) CO) O) O) O) O
Molecular Formula
C15H27NO11
Molecular Weight
397.38 g/mol
Controlled
No

Chemical Information

beta-D-Galp-(1->4)-alpha-D-GlcpNAc-OMe

Beta-D-Galp-(1->4)-alpha-D-GlcpNAc-OMe is a methyl glycoside that is beta-D-galactopyranosyl-(14)-2-acetamido-2-deoxy-alpha-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy. It is a methyl glycoside and a disaccharide derivative. It is functionally related to a beta-D-Galp-(1->4)-D-GlcpNAc.

CAS Number85193-95-9
PubChem CID21668362
IUPAC NameN-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Molecular FormulaC15H27NO11
Molecular Weight397.37
XLogP-4.2
Topological Polar Surface Area187
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity494
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14+,15+/m1/s1
InChIKey
PKPZITUQXLANSE-ZSCXKYTFSA-N
Chemical Structure
2D Structure
2D structure of beta-D-Galp-(1->4)-alpha-D-GlcpNAc-OMe
CAS: 85193-95-9
CID: 21668362
Formula: C15H27NO11
MW: 397.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.37
XLogP3-4.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass397.15841068
Monoisotopic Mass397.15841068
Topological Polar Surface Area187 Ų
Heavy Atom Count27
Formal Charge0
Complexity494
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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