D-Mannaric acid, 1,4:3,6-dilactone
Basic information
- CAS
18404-63-2- Standard SMILES
O=C1OC2C(O)C(=O)OC2C1O- InChIKey
QRFNDAVXJCGLFB-UHFFFAOYSA-N- Molecular formula
- C6H6O6
- Average molar mass
- 174.11 g/mol
- Monoisotopic mass
- 174.01643791
Names & identifiers
- Preferred name
- D-Mannaric acid, 1,4:3,6-dilactone
- IUPAC
- 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
Names & synonyms
D-Mannaric acid, 1,4:3,6-dilactoneD-Glucaric acid 1,4NSC1336111-4:6-3-GlucarodilactoneSCHEMBL5231434CHEMBL19666723,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dioneNSC-133611NCI60_00074118404-63-2
Database identifiers
- CAS
18404-63-2、2900-01-8- PubChem CID
- 137758
- ChEMBL
CHEMBL1966672
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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