10-(2,3,4-Trihydroxybutyl)-1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclododecane

HCID 10694842
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)C(O)CO)CCN(CC(=O)O)CC1
InChIKey
ULYDPFYLCOXMBQ-UHFFFAOYSA-N
Molecular formula
C18H34N4O9
Average molar mass
450.5 g/mol

Names & identifiers

Preferred name
10-(2,3,4-Trihydroxybutyl)-1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclododecane
IUPAC
2-[4,7-bis(carboxymethyl)-10-(2,3,4-trihydroxybutyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Names & synonyms

SCHEMBL2412309ULYDPFYLCOXMBQ-UHFFFAOYSA-N10-(2,3,4-Trihydroxybutyl)-1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclododecane

Database identifiers

PubChem CID
10694842

Properties

Computed structural properties

XLogP
-9.8
Topological polar surface area
186 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
13
Rotatable bonds
10
Heavy atoms
31

Related reactions

8 records
New reaction record

Linked notes

Loading…