Basic information
- CAS
870994-56-2- Standard SMILES
O=C(O)CCC(=O)N1CCN(C(=O)CCC(=O)O)CCN(C(=O)CCC(=O)O)CCN(C(=O)CCC(=O)O)CC1- InChIKey
DAQHOORXEVXWHL-UHFFFAOYSA-N- Molecular formula
- C24H36N4O12
- Average molar mass
- 572.6 g/mol
Names & identifiers
- Preferred name
- 4,4',4'',4'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(4-oxobutanoic acid)
- IUPAC
- 4-oxo-4-[4,7,10-tris(3-carboxypropanoyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
- English name
- 1,4,7,10-Tetraazacyclododecane-1-butanoic acid, 4,7,10-tris(3-carboxy-1-oxopropyl)-γ-oxo-
- Molecular formula
- C24H36N4O12
- Molecular weight
- 572.57
Names & synonyms
4,4',4'',4'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(4-oxobutanoic acid)870994-56-2H401851,4,7,10-Tetraazacyclododecane-1-butanoic acid, 4,7,10-tris(3-carboxy-1-oxopropyl)-γ-oxo-1,4,7,10-Tetraazacyclododecane-1-butanoic acid, 4,7,10-tris(3-carboxy-1-oxopropyl)-γ-oxo-
Database identifiers
- CAS
870994-56-2
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- Boiling point
- 1007.4 · 1007.4±65.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.17(Predicted)
Chemistry & industry
Suppliers9 total
杭州品高化工有限公司0571-87658025 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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