1-Amino-1-deoxy-D-fructose Acetate
Basic information
- CAS
54990-71-5- Standard SMILES
CC(=O)O.NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
MJTNICQSTIRWQM-RWOHWRPJSA-N- Molecular formula
- C8H17NO7
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 239.10050188
Names & identifiers
- Preferred name
- 1-Amino-1-deoxy-D-fructose Acetate
- IUPAC
- acetic acid;(3S,4R,5R)-1-amino-3,4,5,6-tetrahydroxyhexan-2-one
Names & synonyms
1-Amino-1-deoxy-D-fructose AcetateD-Fructose, 1-amino-1-deoxy-, acetate (ester)54990-71-5NSC 5554NSC-55541-Amino-1-deoxy-D-fructose acetate (ester)SCHEMBL8531851CHEMBL1741365DTXSID10203520NCI5554CCG-38137NCGC00013059
Show more names
NCGC00096183-01Acetic acid--1-amino-1-deoxy-D-fructose (1/1)
Database identifiers
- CAS
54990-71-5- PubChem CID
- 150648
- DTXSID
DTXSID10203520- ChEMBL
CHEMBL1741365
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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