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UDP-GalNAc disodium

CAT: 0931-T73809-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T73809-01Size:1 mg
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CAS Number
108320-87-2
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
UDP-GalNAc (UDP-N-acetyl-D-galactosamine) disodium, a sugar nucleotide, serves as a substrate for EpsC115, an exopolymeric substances (EPS) N-terminal deletion mutant lacking residues 1-115. Additionally, UDP-GalNAc acts as the donor substrate for numerous N-acetylgalactosaminyltransferases, which transfer GalNAc from the nucleotide sugar to various saccharide or peptide acceptors [1].
Smiles
[Na+].[Na+].CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Molecular Formula
C17H25N3Na2O17P2
Molecular Weight
651.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Udp-N-acetyl-D-galactosamine disodium salt

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CAS Number108320-87-2
PubChem CID16220073
IUPAC Namedisodium;[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Molecular FormulaC17H25N3Na2O17P2
Molecular Weight651.3
Topological Polar Surface Area306
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity1060
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O.[Na+].[Na+]
InChI
InChI=1S/C17H27N3O17P2.2Na/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28;;/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28);;/q;2*+1/p-2/t7-,8-,10-,11+,12-,13-,14-,15?,16?;;/m1../s1
InChIKey
HXWKMJZFIJNGES-QCVFHWOISA-L
Chemical Structure
2D Structure
2D structure of Udp-N-acetyl-D-galactosamine disodium salt
CAS: 108320-87-2
CID: 16220073
Formula: C17H25N3Na2O17P2
MW: 651.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight651.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Exact Mass651.04545890
Monoisotopic Mass651.04545890
Topological Polar Surface Area306 Ų
Heavy Atom Count41
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes