Basic information
- CAS
528-04-1- Standard SMILES
CC(=O)N[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
LFTYTUAZOPRMMI-UBDZBXRQSA-N- Molecular formula
- C17H27N3O17P2
- Average molar mass
- 607.4 g/mol
- Monoisotopic mass
- 607.0815704
Overview
Uridine diphosphate-N-acetylglucosamine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Uridine Diphosphate N-Acetylglucosamine
- IUPAC
- [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
- English name
- [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy
- Molecular formula
- C17H27N3O17P2
- Molecular weight
- 607.35
Names & synonyms
UdpgnacUdp acetylglucosamineUridine diphosphate-N-acetylglucosamineUridine pyrophosphoacetylglucosamineAcetylglucosamine, UDPuridine diphosphate N-acetylglucosamineUridine diphospho-N-acetylglucosamineDTXSID10912327Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl) ester((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) (((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl) hydrogen phosphate[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphatePyrophosphoacetylglucosamine, Uridine
Show more names
Uridine Impurity 29Glutamic Acid Impurity 8UDP-N-acetyl-D-glucosamineUDP N-acetyl-alpha-D-glucosamine
Properties
Computed structural properties
- XLogP
- -6.6
- Topological polar surface area
- 300 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Experimental & physicochemical properties
Collision Cross Section210.5 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physicochemical properties
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- 1.1 · 1.10±0.50(Predicted)
Chemistry & industry
Applications
UsesUridine 5’-Diphospho-N-acetylglucosamine-13C,d3 is the isotope labelled analog of Uridine 5’-Diphospho-N-acetylglucosamine (U829925, Disodium Salt); a chemical reagent used in studies relating to the synthesis of immunogens.
Suppliers3 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
Additional notes
DefinitionChEBI: A UDP-amino sugar having N-acetyl-alpha-D-glucosamine as the amino sugar component.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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