N-AcGlucoseaminediPO4AzddU
Basic information
- CAS
132278-29-6- 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[C@@H]2N=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
OQFHESRQKSRPCZ-RPFYLOLLSA-N- Molecular formula
- C17H26N6O15P2
- Average molar mass
- 616.4 g/mol
- Monoisotopic mass
- 616.09313814
Names & identifiers
- Preferred name
- N-AcGlucoseaminediPO4AzddU
- IUPAC
- [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Names & synonyms
N-AcGlucoseaminediPO4AzddU132278-29-65'-(N-Acetylglucoseaminediphosphate)-3'-azido-2',3'-dideoxyuridineUridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl) esterDTXSID50157457(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2S,3S,5R)-3-azido-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphateUridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-[2-(acetylamino)-2-deoxy-.alpha.-D-glucopyranosyl] ester
Database identifiers
- CAS
132278-29-6- PubChem CID
- 452283
- DTXSID
DTXSID50157457
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 274 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,170
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Compound notes
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