5{[3-(3-Hydroxymethylamino-5-[(2,3-dihydroxypropyl)aminocarbonyl]-2,4,6-triiodobenzoylamino)-2-hydroxypropyl]-acetyl-amino}-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide
Basic information
- Standard SMILES
CC(=O)N(CC(O)CNC(=O)c1c(I)c(NCO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I- InChIKey
QZKUMGHVVLWAPW-UHFFFAOYSA-N- Molecular formula
- C31H38I6N6O13
- Average molar mass
- 1,464.1 g/mol
- Monoisotopic mass
- 1,463.6765
Names & identifiers
- Preferred name
- 5{[3-(3-Hydroxymethylamino-5-[(2,3-dihydroxypropyl)aminocarbonyl]-2,4,6-triiodobenzoylamino)-2-hydroxypropyl]-acetyl-amino}-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide
- IUPAC
- 1-N-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-3-N-(2,3-dihydroxypropyl)-5-(hydroxymethylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL3076857QZKUMGHVVLWAPW-UHFFFAOYSA-N5{[3-(3-Hydroxymethylamino-5-[(2,3-dihydroxypropyl)aminocarbonyl]-2,4,6-triiodobenzoylamino)-2-hydroxypropyl]-acetyl-amino}-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide
Database identifiers
- PubChem CID
- 86645261
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 311 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 20
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
1 records
Compound notes
Loading…