Basic information
- Standard SMILES
CC(=O)N(CC(O)CCCCC(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
HXJZBROYZUOKRO-UHFFFAOYSA-N- Molecular formula
- C44H62I6N6O16
- Average molar mass
- 1,692.4 g/mol
Names & identifiers
- Preferred name
- 5,5'-(2,7-dihydroxyoctane-1,8-diyl)bis(acetylazanediyl)bis(N1,N1,N3, N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodoisophthalamide)
- IUPAC
- 5-[acetyl-[8-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-triiodoanilino]-2,7-dihydroxyoctyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL682336HXJZBROYZUOKRO-UHFFFAOYSA-N5,5'-(2,7-dihydroxyoctane-1,8-diyl)bis(acetylazanediyl)bis(N1,N1,N3, N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodoisophthalamide)
Database identifiers
- PubChem CID
- 44218791
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 324 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 31
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
1 records
Linked notes
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