Basic information
- Standard SMILES
COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NC[C@H](O)COc1c(Br)cc([C@@H](O)CNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)cc1Br)=NO2- InChIKey
TURTULDFIIAPTC-SVWNRAJFSA-N- Molecular formula
- C31H30Br6N4O11
- Average molar mass
- 1,114 g/mol
- Monoisotopic mass
- 1,107.70113038
Names & identifiers
- Preferred name
- (5S,6R)-7,9-dibromo-N-[(2S)-3-[2,6-dibromo-4-[(1R)-2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
- IUPAC
- (5S,6R)-7,9-dibromo-N-[(2S)-3-[2,6-dibromo-4-[(1R)-2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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