Basic information
- CAS
69815-36-7- Standard SMILES
CCOC(C(=O)OCC1CC[NH+](CC)C1)(c1ccccc1)c1ccccc1.O=C([O-])CC(O)(CC(=O)O)C(=O)O- InChIKey
GHMPIZOAARYDHB-UHFFFAOYSA-N- Molecular formula
- C29H37NO10
- Average molar mass
- 559.6 g/mol
- Monoisotopic mass
- 559.24174638
Names & identifiers
- Preferred name
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--(1-ethylpyrrolidin-3-yl)methyl ethoxy(diphenyl)acetate (1/1)
- IUPAC
- 3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenylacetate
Names & synonyms
69815-36-7RefChem:1063441DTXCID9014171882-Hydroxypropane-1,2,3-tricarboxylic acid--(1-ethylpyrrolidin-3-yl)methyl ethoxy(diphenyl)acetate (1/1)DTXSID30990081Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-3-pyrrolidinyl)methyl ester, citrate2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-3-pyrrolidinyl)methyl ester citrate
Database identifiers
- CAS
69815-36-7- PubChem CID
- 50902
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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