Basic information
- CAS
13962-16-8- Standard SMILES
COc1ccc(CC2NCC(O)C2OC(C)=O)cc1- InChIKey
YKJYKKNCCRKFSL-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Overview
See also: Anisomycin (annotation moved to).
Names & identifiers
- Preferred name
- D-xylo-Pentitol, 1,4,5-trideoxy-1,4-imino-5-(4-methoxyphenyl)-, 3-acetate
- IUPAC
- [4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
Names & synonyms
D-xylo-Pentitol, 1,4,5-trideoxy-1,4-imino-5-(4-methoxyphenyl)-, 3-acetateRefChem:585129GNF-Pf-4325[4-Hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate13962-16-84-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate(2R,3S,4S)-2-(4-Methoxybenzyl)-3,4-pyrrolidinediol-3-acetateNSC 767122-p-Methoxyphenylmethyl-3-acetoxy-4-hydroxypyrrolidineFlagecidin;Wuningmeisu CMLS0027029456185-RBK-10
Show more names
CHEMBL598263orb1300493SCHEMBL2270193ANISOMYCIN 0.1%, AnisomycinDTXSID40860286EBC-615428Anisomycin (from Streptomyces griseolus)NCGC00017330-02
Database identifiers
- CAS
13962-16-8、22862-76-6- PubChem CID
- 2199
- DTXSID
DTXSID40860286- ChEMBL
CHEMBL598263
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Safety & regulation
Hazard information
Other Safety InformationIMAP assessments - D-xylo-Pentitol, 1,4,5-trideoxy-1,4-imino-5-(4-methoxyphenyl)-, 3-acetate: Environment tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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