Basic information
- CAS
35850-79-4- Standard SMILES
CCCCCCCCCCOCCCN(C(=O)CC(C(=O)[O-])S(=O)(=O)[O-])[C@@H](CC(=O)OCC)C(=O)OCC.[Na+].[Na+]- InChIKey
PFPILGLOAUBLMG-OAQMNXJYSA-L- Molecular formula
- C25H43NNa2O11S
- Average molar mass
- 611.7 g/mol
- Monoisotopic mass
- 611.23522093
Names & identifiers
- Preferred name
- DL-Aspartic acid, N-(3-carboxy-1-oxo-3-sulfopropyl)-N-(3-(decyloxy)propyl)-, 1,4-diethyl ester, disodium salt
- IUPAC
- disodium;4-[3-decoxypropyl-[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-oxo-2-sulfonatobutanoate
Names & synonyms
35850-79-4SV 1147DL-Aspartic acid, N-(3-carboxy-1-oxo-3-sulfopropyl)-N-(3-(decyloxy)propyl)-, 1,4-diethyl ester, disodium saltDTXSID301350441disodium 4-[3-decoxypropyl-[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-oxo-2-sulfonatobutanoate
Database identifiers
- CAS
35850-79-4- PubChem CID
- 215566
- DTXSID
DTXSID301350441
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 23
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 792
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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