Basic information
- CAS
41287-84-7- Standard SMILES
Brc1ccc(OCCCCCN2CCSC2)nc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
QRSACXJLVRDWQD-UHFFFAOYSA-N- Molecular formula
- C19H27BrN2O8S
- Average molar mass
- 523.4 g/mol
- Monoisotopic mass
- 522.06715
Names & identifiers
- Preferred name
- Pyridine, 5-bromo-2-((5-(3-thiazolidinyl)pentyl)oxy)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- IUPAC
- 3-[5-[(5-bromo-2-pyridinyl)oxy]pentyl]-1,3-thiazolidine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
Thiazolidine, 3-(5-(5-bromo-2-pyridyloxy)pentyl)-, citrate41287-84-7Pyridine, 5-bromo-2-((5-(3-thiazolidinyl)pentyl)oxy)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)DTXSID70194243RefChem:376855DTXCID801167342-Hydroxypropane-1,2,3-tricarboxylic acid--5-bromo-2-{[5-(1,3-thiazolidin-3-yl)pentyl]oxy}pyridine (1/1)
Database identifiers
- CAS
41287-84-7- PubChem CID
- 218860
- DTXSID
DTXSID70194243
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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