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NAG-thiazoline

CAT: 0607-BA1392-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1392-5Size:5 mg
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CAS Number
179030-22-9
Form
A solid
Molecular Formula
C8H13NO4S
Molecular Weight
219.26
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at 4°C.

Chemical Information

N-Acetyl-glucosamine thiazoline

N-Acetyl-glucosamine thiazoline (NAG-thiazoline) is an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid.

CAS Number179030-22-9
PubChem CID5289024
IUPAC Name(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Molecular FormulaC8H13NO4S
Molecular Weight219.26
XLogP-1.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity260
SMILES
CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
InChI
InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
InChIKey
DRHXTSWSUAJOJZ-FMDGEEDCSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-glucosamine thiazoline
CAS: 179030-22-9
CID: 5289024
Formula: C8H13NO4S
MW: 219.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.26
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass219.05652907
Monoisotopic Mass219.05652907
Topological Polar Surface Area108 Ų
Heavy Atom Count14
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19165731-01NAG-thiazoline
HY-178978α, δ-NAG
MA141200-01N-Acetyl-glucosaminyl thiazoline
0025682-Amino-2-thiazoline
sc-251779A2-Methyl-2-thiazoline
418878-012-Methylthio-2-thiazoline
OR95286-012-Acetyl-2-thiazoline
GTR19153959-01CDM-NAG
sc-2232602- (Methylthio) -2-thiazoline
sc-2542932-Thiazoline-2-thiol

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