Uridine diphosphate-N-acetylgalactosamine 4-sulfate

Base Information

• Chemical Name: Uridine diphosphate-N-acetylgalactosamine 4-sulfate
• CAS No.: 3863-56-7
• Molecular Formula: C17H27 N3 O20 P2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID501112053
• Nikkaji Number: J2.751.130I
• Wikidata: Q27225670
• Metabolomics Workbench ID: 70073
• Mol file: 3863-56-7.mol

Synonyms:UDP-Ga1NAc-S;UDP-N-acetylgalactosamine 4-sulfate;uridine diphosphate-N-acetylgalactosamine 4-sulfate

Chemical Property of Uridine diphosphate-N-acetylgalactosamine 4-sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 380.98000
• Density: 1.96g/cm³
• LogP: -2.48940
• XLogP3: -7.6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 687.03838543
• Heavy Atom Count: 43
• Complexity: 1310

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)OS(=O)(=O)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)OS(=O)(=O)O)O

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