5-fluoro-2'-deoxyuridine diphosphate-N-acetylglucosamine
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Basic information
- CAS
87810-49-9- Standard SMILES
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
PTLWNAKQOWSRGX-IUXXHCEHSA-N- Molecular formula
- C17H26FN3O17P2
- Average molar mass
- 625.3 g/mol
- Monoisotopic mass
- 625.07214853
Names & identifiers
- Preferred name
- 5-fluoro-2'-deoxyuridine diphosphate-N-acetylglucosamine
- IUPAC
- [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
- English name
- 5-fluoro-2'-deoxyuridine diphosphate-N-acetylglucosamine
- Molecular formula
- C17H26FN3O17P2
- Molecular weight
- 625.34
Names & synonyms
5-F-2'-Udp-glcnac87810-49-95-Fluoro-2'-deoxyuridine diphosphate-N-acetylglucosamineUridine 5'-(trihydrogen diphosphate), 5-fluoro-, mono(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl) esterRefChem:102616[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate5-FLUORO-2'-DEOXYURIDINE DIPHOSPHONATE-N-ACETYLGL...Uridine 5'-(trihydrogen diphosphate), 5-fluoro-, P'-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl] ester
Database identifiers
- CAS
87810-49-9- PubChem CID
- 137355
Properties
Computed structural propertiesFilling in
- XLogP
- -6.3
- Topological polar surface area
- 300 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- pka
- 1.1 · 1.10±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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