Butrol
2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
| Molecular Formula | C18H34N4O9 |
|---|---|
| Molecular Weight | 450.5 g/mol |
| LogP | -9.8 |
| Topological Polar Surface Area | 186.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.23257 |
| Heavy Atoms | 31 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 151852-61-8 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O |
| InChIKey | JZNZSKXIEDHOBD-HUUCEWRRSA-N |
📖 Product Overview
Butrol (CAS: 151852-61-8) is a chemical compound with molecular formula C18H34N4O9 and molecular weight 450.5 g/mol. Its IUPAC systematic name is 2-[4,10-bis(carboxymethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.
JZNZSKXIEDHOBD-HUUCEWRRSA-N.
SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O.
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