Basic information
- CAS
33981-76-9- Standard SMILES
CCC(C)(O)C(O)C(=O)OCC1CCN2CCCC12- InChIKey
NQWNEWFDQVQZAT-UHFFFAOYSA-N- Molecular formula
- C14H25NO4
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.17835828
Names & identifiers
- Preferred name
- Strigosine
- IUPAC
- 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2,3-dihydroxy-3-methylpentanoate
Names & synonyms
Strigosine33981-76-9RefChem:1860252,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2,3-dihydroxy-3-methylpentanoateSCHEMBL30050922DTXSID20955563(Hexahydro-1H-pyrrolizin-1-yl)methyl 4,5-dideoxy-3-C-methylpentonate(Hexahydro-1H-pyrrolizin-1-yl)methyl 4,5-dideoxy-3-C-methylpentonatato(3-)Pentanoic acid, 2,3-dihydroxy-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester
Database identifiers
- CAS
33981-76-9- PubChem CID
- 169554
- DTXSID
DTXSID20955563
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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