Azido-mono-amide-DOTA-tris(t-Bu ester)
Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCCN=[N+]=[N-])CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1- InChIKey
QCIDPVZTCWQMOH-UHFFFAOYSA-N- Molecular formula
- C31H58N8O7
- Average molar mass
- 654.8 g/mol
Names & identifiers
- Preferred name
- Azido-mono-amide-DOTA-tris(t-Bu ester)
- IUPAC
- tert-butyl 2-[4-[2-(3-azidopropylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Names & synonyms
1402795-92-9Azido-mono-amide-DOTA-tris(t-Bu ester)1,4,7,10-Tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-(azidopropyl ethylacetamide)tri-tert-butyl 2,2',2''-(10-(2-((3-azidopropyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetateDOTA-(COOt-Bu)3-azideorb2942404SCHEMBL14675508DOTA-tris(t-Bu)ester-C3-azideQCIDPVZTCWQMOH-UHFFFAOYSA-NTSH-00048HY-158065CS-1013782
Show more names
H53208
Database identifiers
- PubChem CID
- 59487518
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 18
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 983
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Related reactions
2 records
Compound notes
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