(10r,10'r)-n,n'-(2-Oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

HCID 73116

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Basic information

CAS: 73622-23-8
Standard SMILES: COC1=C(Br)[C@H](O)C2(C=C1Br)CC(C(=O)NCCC(=O)CNC(=O)C1=NOC3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C1)=NO2
InChIKey: LPBNXOLVSVGFDX-CSKPTYFESA-N
Molecular formula: C24H24Br4N4O9
Average molar mass: 832.1 g/mol
Monoisotopic mass: 827.82768

Names & identifiers

Preferred name: (10r,10'r)-n,n'-(2-Oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)
IUPAC: (6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Names & synonyms

(6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide(10r,10'r)-n,n'-(2-oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)DTXSID50994405N,N'-(2-Oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

Database identifiers

CAS: 73622-23-8
PubChem CID: 73116
DTXSID: DTXSID50994405

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 177 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 11
Rotatable bonds: 9
Heavy atoms: 41
Formal charge: 0
Complexity: 1,360

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