Basic information
- CAS
58568-15-3- Standard SMILES
CC[NH+](CC)CCOC(=O)CCC[Si](C)(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]- InChIKey
BGKQWFYUGFHCDV-UHFFFAOYSA-N- Molecular formula
- C19H37NO9Si
- Average molar mass
- 451.6 g/mol
- Monoisotopic mass
- 451.22375829
Names & identifiers
- Preferred name
- Butyric acid, 4-trimethylsilyl-, 2-(diethylamino)ethyl ester, citrate
- IUPAC
- 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(4-trimethylsilylbutanoyloxy)ethyl]azanium
Names & synonyms
BUTYRIC ACID, 4-TRIMETHYLSILYL-, 2-(DIETHYLAMINO)ETHYL ESTER, CITRATE4-Trimethylsilylbutyric acid 2-(diethylamino)ethyl ester citrate58568-15-3DTXSID402072784-Trimethylsilylbuttersaure-beta-diathylaminoathylesterdihydrogencitrat [German]4-Trimethylsilylbuttersaure-beta-diathylaminoathylesterdihydrogencitratRefChem:331334DTXCID40129769N,N-Diethyl-2-{[4-(trimethylsilyl)butanoyl]oxy}ethan-1-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Database identifiers
- CAS
58568-15-3- PubChem CID
- 42783
- DTXSID
DTXSID40207278
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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