Dimethyl (2R)-2-hydroxypentanedioate
Basic information
- CAS
55094-98-9- Standard SMILES
COC(=O)CC[C@@H](O)C(=O)OC- InChIKey
SHBLBMNYOOCEFM-RXMQYKEDSA-N- Molecular formula
- C7H12O5
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.06847348
Names & identifiers
- Preferred name
- Dimethyl (2R)-2-hydroxypentanedioate
- IUPAC
- dimethyl (2R)-2-hydroxypentanedioate
Names & synonyms
55094-98-9DIMETHYL (R)-2-HYDROXYPENTANEDIOATEDimethyl (2R)-2-hydroxypentanedioate(R)-Dimethyl 2-hydroxypentanedioate1,5-dimethyl (2R)-2-hydroxypentanedioatePentanedioic acid, 2-hydroxy-, dimethyl ester, (2R)-SCHEMBL17055793DTXSID80511861F84477EN300-1174688F551443
Database identifiers
- CAS
55094-98-9- PubChem CID
- 12866168
- DTXSID
DTXSID80511861- Nikkaji
- J1.161.618F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…