Basic information
- CAS
14698-18-1- Standard SMILES
NC(=O)N1C(C(F)C(=O)O)OC2C(O)C(CO)OC21- InChIKey
YHMXSTNGNKQKQC-UHFFFAOYSA-N- Molecular formula
- C9H13FN2O7
- Average molar mass
- 280.21 g/mol
- Monoisotopic mass
- 280.07067892
Names & identifiers
- Preferred name
- 2-[3-carbamoyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-2H-furo[2,3-d][1,3]oxazol-2-yl]-2-fluoroacetic acid
- IUPAC
- 2-[3-carbamoyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-2H-furo[2,3-d][1,3]oxazol-2-yl]-2-fluoroacetic acid
Names & synonyms
14698-18-1NSC5295412-[3-carbamoyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-2H-furo[2,3-d][1,3]oxazol-2-yl]-2-fluoroacetic acidDTXSID60326516NSC-529541DS-011131[3-Carbamoyl-6-hydroxy-5-(hydroxymethyl)hexahydrofuro[2,3-d][1,3]oxazol-2-yl](fluoro)acetic acidFuro[2,3-d]oxazole-2-aceticacid, 3-carbamoyl-a-fluorohexahydro-6-hydroxy-5-(hydroxymethyl)-(8ci)
Database identifiers
- CAS
14698-18-1- PubChem CID
- 352995
- DTXSID
DTXSID60326516
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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