Basic information
- CAS
22862-75-5- Standard SMILES
COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(C)=O)cc1.Cl- InChIKey
GLVJGDLQHBCCEP-SOIKFHLCSA-N- Molecular formula
- C14H20ClNO4
- Average molar mass
- 301.76 g/mol
- Monoisotopic mass
- 301.1080858
Names & identifiers
- Preferred name
- 2-((4-Methoxyphenyl)methyl)-3,4-pyrrolidinediol 3-acetate hydrochloride, (2S,3R,4R)-
- IUPAC
- [(2S,3R,4R)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate;hydrochloride
Names & synonyms
22862-75-5NSC 147340UNII-6CQU2V295F2-((4-Methoxyphenyl)methyl)-3,4-pyrrolidinediol 3-acetate hydrochloride, (2S,3R,4R)-NSC-147340NSC147340MLS002702945ANISOMYCIN - HCLSCHEMBL1003579CHEMBL1998740DTXSID001774033,4-Pyrrolidinediol, 2-(p-methoxybenzyl)-, 3-acetate, hydrochloride, cis-2,3,trans-3,4-(-)-
Show more names
PD0119003, 2-(p-methoxybenzyl)-, 3-acetate, hydrochloride, cis-2,3,trans-3,4-(-)-(2S,3R,4R)-4-Hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate--hydrogen chloride (1/1)3,4-PYRROLIDINEDIOL, 2-((4-METHOXYPHENYL)METHYL)-, 3-ACETATE, HYDROCHLORIDE, (2S,3R,4R)-3,4-PYRROLIDINEDIOL, 2-((4-METHOXYPHENYL)METHYL)-, 3-ACETATE, HYDROCHLORIDE, (2S-(2.ALPHA.,3.ALPHA.,4.BETA.))-
Database identifiers
- CAS
22862-75-5- PubChem CID
- 462385
- DTXSID
DTXSID00177403- ChEMBL
CHEMBL1998740- UNII
- 6CQU2V295F
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…