Basic information
- CAS
25901-35-3- Standard SMILES
CC(=O)NCc1c(I)c(NC(=O)CCCCCCCC(=O)Nc2c(I)c(CNC(C)=O)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
AZQHFPSJBZBCNP-UHFFFAOYSA-N- Molecular formula
- C29H30I6N4O8
- Average molar mass
- 1,324 g/mol
- Monoisotopic mass
- 1,323.6332
Overview
structure
Names & identifiers
- Preferred name
- B 9720
- IUPAC
- 3-(acetamidomethyl)-5-[[9-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid
Names & synonyms
25901-35-3B 9720DTXSID20180555B-9720RefChem:116190DTXCID60103046benzoic acid, 3,3'-((1,9-dioxo-1,9-nonanediyl)diimino)bis(5-((acetylamino)methyl)-2,4,6-triiodo)BRN 28006953,3'-(Azelaoyldiimino)bis(5-(acetamidomethyl)-2,4,6-triiodobenzoic acid)m-Toluic acid, 5,5'-(azelaoyldiimino)bis(alpha-acetamido-2,4,6-triiodo-SCHEMBL4247631BENZOIC ACID, 3,3'-(AZELAOYLDIIMINO)BIS(5-(ACETAMIDOMETHYL)-2,4,6-TRIIODO-
Show more names
Benzoic acid, 3,3'-((1,9-dioxo-1,9-nonanediyl)diimino)bis(5-((acetylamino)methyl)-2,4,6-triiodo-3,3'-[(1,9-Dioxononane-1,9-diyl)bis(azanediyl)]bis[5-(acetamidomethyl)-2,4,6-triiodobenzoic acid]
Database identifiers
- CAS
25901-35-3- PubChem CID
- 33208
- DTXSID
DTXSID20180555- Nikkaji
- J73.854I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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