Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCOCCOC(=O)CCCCCCCCCCCCCCCCC)CC(=O)O)CC(=O)O- InChIKey
QOIXQUTWGKPGQQ-UHFFFAOYSA-N- Molecular formula
- C58H109N5O14
- Average molar mass
- 1,100.5 g/mol
Names & identifiers
- Preferred name
- 6,9-Bis(carboxymethyl)-11,19-dioxo-3-[2-[[2-[2-[(1-oxooctadecyl)oxy]ethoxy]ethyl]amino]-2-oxoethyl]-15,18-dioxa-3,6,9,12-tetraaza-hexatriacontanoic Acid
- IUPAC
- 2-[bis[2-[carboxymethyl-[2-[2-(2-octadecanoyloxyethoxy)ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
Names & synonyms
SCHEMBL3154287QOIXQUTWGKPGQQ-UHFFFAOYSA-N6,9-Bis(carboxymethyl)-11,19-dioxo-3-[2-[[2-[2-[(1-oxooctadecyl)oxy]ethoxy]ethyl]amino]-2-oxoethyl]-15,18-dioxa-3,6,9,12-tetraaza-hexatriacontanoic Acid6,9-Bis(carboxymethyl)-11,19-dioxo-3-[2-[[2-[2-[(1-oxooctadecyl)oxy]ethoxy]ethyl]amino]-2-oxoethyl]-15,18-dioxa-3,6,9,12-tetraazahexatriacontanoic acid
Database identifiers
- PubChem CID
- 9812397
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 62
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
2 records
Compound notes
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