Benzyl-a-GalNAc

CAT: 0127-BUP08430-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08430-01Size:5 mg

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CAS Number

3554-93-6

Synonyms

O-glycosylation-IN-1

Purity

=95%

Smiles

CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OCc1ccccc1

Chemical Information

benzyl N-acetyl-alpha-D-galactosaminide

an inhibitor of mucin glycosylation

CAS Number	3554-93-6
PubChem CID	122253
IUPAC Name	N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
Molecular Formula	C15H21NO6
Molecular Weight	311.33
XLogP	-0.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	360

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)CO)O)O

InChI

InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13+,14-,15+/m1/s1

InChIKey

SKOZFDIGKDPQBO-QMIVOQANSA-N

Chemical Structure

2D Structure

CAS: 3554-93-6

CID: 122253

Formula: C15H21NO6

MW: 311.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	311.33
XLogP3	-0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	311.13688739
Monoisotopic Mass	311.13688739
Topological Polar Surface Area	108 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Benzyl-a-GalNAc

Chemical Information

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