Basic information
- CAS
37992-17-9- Standard SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@@H]1O- InChIKey
SQMNIXJSBCSNCI-LUWBGTNYSA-N- Molecular formula
- C11H20NO12P
- Average molar mass
- 389.25 g/mol
- Monoisotopic mass
- 389.07231207
Overview
N-acetylneuraminic acid 9-phosphate is an amino sugar phosphate. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a N-acetylneuraminate.
Names & identifiers
- Preferred name
- 5-N-Acetyl-9-O-phospho-neuraminic acid
- IUPAC
- (4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Names & synonyms
Neu5Ac9P5-N-Acetyl-9-O-phospho-neuraminic acidSNFG:Neu5Ac9PNeu5Ac9P (SNFG)GlyTouCan:G49697CDRefChem:1113459G49697CDN-acetylneuraminic acid 9-phosphateC06241SCHEMBL29397247CHEBI:27438N-acetyl-Neuraminic acid-9-phosphate
Show more names
(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acidN-acetyl- 9-(dihydrogen phosphate)-Neuraminic acidQ271031285-acetamido-3,5-dideoxy-9-phosphono-D-galacto-non-2-ulopyranosonic acid5-acetamido-3,5-dideoxy-9-phosphono-D-glycero-D-galacto-2-nonulosonic acid5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonic acid 9-(dihydrogen phosphate)
Database identifiers
- CAS
37992-17-9- PubChem CID
- 440962
- ChEBI
CHEBI:27438- Nikkaji
- J2.761.995I
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
LogP-4.235
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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