Agn-PC-0jrap3
Basic information
- CAS
6917-97-1- Standard SMILES
COc1c2c(c(O)c3c1C(O)C(O)c1cc(C)c(C(=O)NC(C)C(=O)O)c(O)c1-3)C(=O)c1cc(O)cc(O)c1C2=O- InChIKey
LUUJABHWSNILKN-UHFFFAOYSA-N- Molecular formula
- C28H23NO12
- Average molar mass
- 565.5 g/mol
- Monoisotopic mass
- 565.12202517
Names & identifiers
- Preferred name
- Agn-PC-0jrap3
- IUPAC
- 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
Names & synonyms
6917-97-1AGN-PC-0JRAP3DTXSID00411697N-(1,5,6,9,11,14-Hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carbonyl)alanine
Database identifiers
- CAS
6917-97-1- PubChem CID
- 5229700
- DTXSID
DTXSID00411697
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,080
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Compound notes
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