Maleimido-mono-amide-DTPA
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Basic information
- CAS
2032239-75-9- Standard SMILES
O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)NCCN1C(=O)C=CC1=O)CC(=O)O- InChIKey
IGFUUUKTWMDRBH-UHFFFAOYSA-N- Molecular formula
- C20H29N5O11
- Average molar mass
- 515.5 g/mol
- Monoisotopic mass
- 515.18635676
Names & identifiers
- Preferred name
- Maleimido-mono-amide-DTPA
- IUPAC
- 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
- English name
- MaleiMido-Mono-aMide-DTPA
- Molecular formula
- C20H29N5O11
- Molecular weight
- 515.47
Names & synonyms
2032239-75-92,2',2'',2'''-((((2-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-2-oxoethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanetriyl))tetraacetic acidMaleimido-mono-amide-DTPASCHEMBL21652478Glycine, N-[2-[[2-[bis(carboxymethyl)amino]ethyl][2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]amino]ethyl]-N-(carboxymethyl)-
Database identifiers
- CAS
2032239-75-9- PubChem CID
- 146322800
Properties
Computed structural propertiesFilling in
- XLogP
- -9.5
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 19
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 801
Physicochemical properties
- Boiling point
- 870.7 · 870.7±65.0 °C(Predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- pka
- 1.48 · 1.48±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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