87487-96-5 Purity
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Specification
The molecular formula of Safracin A is C28H36N4O6.
Safracin A was created in PubChem on August 8, 2005.
The IUPAC name of Safracin A is (2S)-2-amino-N-[[(1S,2S,10R,13R)-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide.
The InChIKey of Safracin A is AZDDAJXLYMVMAW-BVFBRMCBSA-N.
Safracin A has 3 hydrogen bond donor counts.
The topological polar surface area of Safracin A is 134 Ų.
The exact mass of Safracin A is 524.26348488 g/mol.
Safracin A has 5 defined atom stereocenter counts.
The canonical SMILES representation of Safracin A is CC1=CC2=C(C3C4CC5=C(C(N4CC(C2)N3C)CNC(=O)C(C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O.
The complexity value of Safracin A is 1090.