Basic information
- CAS
640-06-2- Standard SMILES
O=C1OC2CC1(O)CC(O)C2O- InChIKey
QPJRIFFWEBJVFN-UHFFFAOYSA-N- Molecular formula
- C7H10O5
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.05282342
Names & identifiers
- Preferred name
- 1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-one
- IUPAC
- 1,3,4-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one
- English name
- 6-Oxabicyclo[3.2.1]octan-7-one,1,3,4-trihydroxy-
- Molecular formula
- C7H10O5
- Molecular weight
- 174.1513
Names & synonyms
1,3,4-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one640-06-2NSC149839Oprea1_145667SCHEMBL595664DTXSID20981908QPJRIFFWEBJVFN-UHFFFAOYSA-NHMS1769H09AAA66527NSC-1498391,3,4-Trihydroxy-6-oxa-bicyclo[3.2.1]octan-7-oneZ56771805
Show more names
6-Oxabicyclo[3.2.1]octan-7-one,1,3,4-trihydroxy-
1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone
Database identifiers
- CAS
640-06-2- PubChem CID
- 288574
- DTXSID
DTXSID20981908
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
3 records
Compound notes
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