Basic information
- CAS
2646-41-5- Standard SMILES
Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O- InChIKey
BSSVQOAGMLUVBX-UHFFFAOYSA-N- Molecular formula
- C58H82N12O16
- Average molar mass
- 1,203.3 g/mol
- Monoisotopic mass
- 1,202.59717457
Names & identifiers
- Preferred name
- Actinomycin D, 3(sup A)-(N-methylglycine)-3(sup B)-(N-methylglycine)-
- IUPAC
- 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]phenoxazine-1,9-dicarboxamide
Names & synonyms
Actinomycin D, 3(sup A)-(N-methylglycine)-3(sup B)-(N-methylglycine)-2646-41-5RefChem:1076149Actinomycin IIActinomycin A IIActinomycin A2Actinomycin F8SCHEMBL29655729NSC236660NSC-236660Actinomycin D, 3*-(N-methylglycine)-3*-(N-methylglycine)-
Database identifiers
- CAS
2646-41-5- PubChem CID
- 200754
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 356 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 2,850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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