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Basic information
- Standard SMILES
CC(=O)NC1C(O)CC(OP(=O)(O)OCC2OC(n3ccc(N)nc3=O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO- InChIKey
TXCIAUNLDRJGJZ-UHFFFAOYSA-N- Molecular formula
- C20H31N4O16P
- Average molar mass
- 614.5 g/mol
- Monoisotopic mass
- 614.14726791
Names & identifiers
- Preferred name
- 5-Acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
- IUPAC
- 5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Names & synonyms
5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidN-Acetyl-b-neuraminic acid5-ACETYLAMINO-2-[[5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-4-HYDROXY-6-(1,2,3-TRIHYDROXYPROPYL)OXANE-2-CARBOXYLIC ACIDCHEBI:168748DB-219294
Database identifiers
- PubChem CID
- 316
- ChEBI
CHEBI:168748
Properties
Computed structural propertiesFilling in
- XLogP
- -6.7
- Topological polar surface area
- 321 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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