Basic information
- Standard SMILES
CC(=O)N(CC(O)COCCOCC(O)CN(C(C)=O)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I- InChIKey
TWVPXJMQQOTSJR-UHFFFAOYSA-N- Molecular formula
- C44H62I6N6O18
- Average molar mass
- 1,724.4 g/mol
Names & identifiers
- Preferred name
- 5,5'-(5,12-dihydroxy-2,15-dioxo-7,10-dioxa-3,14-diazahexadecane-3,14-diyl)bis(N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodoisophthalamide)
- IUPAC
- 5-[acetyl-[3-[2-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-triiodoanilino]-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL682182TWVPXJMQQOTSJR-UHFFFAOYSA-N5,5'-(5,12-dihydroxy-2,15-dioxo-7,10-dioxa-3,14-diazahexadecane-3,14-diyl)bis(N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodoisophthalamide)
Database identifiers
- PubChem CID
- 44218792
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 343 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 33
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,520
Related reactions
1 records
Compound notes
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