19-Hydroxyvenalstonidine
Basic information
- CAS
87387-67-5- Standard SMILES
COC(=O)C1CC23C(O)CC14Nc1ccccc1C41CCN(CC4OC42)C31- InChIKey
HNUOJNHAJOCKBT-UHFFFAOYSA-N- Molecular formula
- C21H24N2O4
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.17360725
Names & identifiers
- Preferred name
- 19-Hydroxyvenalstonidine
- IUPAC
- methyl 20-hydroxy-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
Names & synonyms
87387-67-519-HydroxyvenalstonidineDTXSID601007520Aspidofractinine-3-carboxylic acid, 6,7-epoxy-20-hydroxy-, methyl ester, (2alpha,3beta,5alpha,6alpha,7alpha,20S)-Methyl 4-hydroxy-6,7-epoxyaspidofractinine-21-carboxylate
Database identifiers
- CAS
87387-67-5- PubChem CID
- 159083
- DTXSID
DTXSID601007520
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 731
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…