Basic information
- Standard SMILES
O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1- InChIKey
RYHKEHZYZMCOMO-CAGKOAJJSA-N- Molecular formula
- C26H44N6O11S
- Average molar mass
- 648.7 g/mol
Names & identifiers
- Preferred name
- DOTA biotin
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Names & synonyms
DOTA biotinSCHEMBL2277296RYHKEHZYZMCOMO-CAGKOAJJSA-N
Database identifiers
- PubChem CID
- 87364501
Properties
Computed structural properties
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 745
Related reactions
23 records
Compound notes
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