1-[5-[[[[3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-2,4-dioxo-pyrimidine

CAS
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CAS
3863-56-7
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Purity
96%
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Catalog Number

ACM3863567

Product Name

1-[5-[[[[3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-oxan-2-yl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-2,4-dioxo-pyrimidine

Structure

CAS

3863-56-7

Category

Heterocyclic Organic Compound

Synonyms

Udp-Ga1NAc-S, Udp-N-acetylgalactosamine 4-sulfate, CID3082012, UDP-N-acetyl-D-galactosamine 4-sulfate, Uridine diphosphate-N-acetylgalactosamine 4-sulfate, C04426, 3863-56-7, Uridine 5-(trihydrogen diphosphate), P-(2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranosyl) ester

IUPAC Name

[(2R,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Molecular Weight

687.416902 [g/mol]

Molecular Formula

C₁₇H₂₇N₃O₂₀P₂S

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

InChI Key

ITVFJXYJMFKBES-ACMLXWNCSA-N

Density

1.96g/cm³

Exact Mass

687.03800