Basic information
- CAS
129051-64-5- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(OC)c1C2=O)C(O)C(O)c1cc(C)c(C(=O)N[C@H](C)C(=O)O)c(O)c1-3- InChIKey
GRWBRZRHHYOYGA-RJUKRNDXSA-N- Molecular formula
- C29H25NO12
- Average molar mass
- 579.5 g/mol
- Monoisotopic mass
- 579.13767524
Overview
Pradimicin N has been reported in Actinomadura with data available.
Names & identifiers
- Preferred name
- Pradimicin N
- IUPAC
- (2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
Names & synonyms
Pradimicin N7-Methoxybenanomicinone129051-64-5RefChem:175697(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acidDTXSID10926287N-[Hydroxy(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl)methylidene]-D-alanineN-[Hydroxy(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl)methylidene]alanine
Database identifiers
- CAS
129051-64-5- PubChem CID
- 73575
- DTXSID
DTXSID10926287
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…