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Ac4GalNAz (25 mg)

CAT: 1106-JBS-CLK-1086-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1106-JBS-CLK-1086-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
653600-56-7
Product Name Alternative
N-azidoacetylgalactosamine-tetraacylated
Certification
RUO
Purity
≥ 90 % (LC/MS)
Solubility
DMSO, DMF, MeOH
Molecular Formula
C 16 H 22 N 4 O 10
Molecular Weight
430.37
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Off-white to grey amorphous solid
Applications Notes
Glycoconjugate synthesis monitoring by metabolic labeling

Chemical Information

Ac4GalNAz
CAS Number653600-56-7
PubChem CID71311754
IUPAC Name[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate
Molecular FormulaC16H22N4O10
Molecular Weight430.37
XLogP1.2
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity736
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22N4O10/c1-7(21)26-6-11-14(27-8(2)22)15(28-9(3)23)13(16(30-11)29-10(4)24)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13-,14+,15-,16?/m1/s1
InChIKey
HGMISDAXLUIXKM-YJUJGKJLSA-N
Chemical Structure
2D Structure
2D structure of Ac4GalNAz
CAS: 653600-56-7
CID: 71311754
Formula: C16H22N4O10
MW: 430.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight430.37
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass430.13359291
Monoisotopic Mass430.13359291
Topological Polar Surface Area158 Ų
Heavy Atom Count30
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes