1-Benzyl 16-(2,5-dioxopyrrolidin-1-YL) hexadecanedioate
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Basic information
- CAS
949588-03-8- Standard SMILES
O=C(CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O)OCc1ccccc1- InChIKey
ZFQZNKHKXYJIKF-UHFFFAOYSA-N- Molecular formula
- C27H39NO6
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.27773796
Names & identifiers
- Preferred name
- 1-Benzyl 16-(2,5-dioxopyrrolidin-1-YL) hexadecanedioate
- IUPAC
- 1-O-benzyl 16-O-(2,5-dioxopyrrolidin-1-yl) hexadecanedioate
- English name
- 1-benzyl 16-(2,5-dioxopyrrolidin-1-yl) hexadecanedioate
- Molecular formula
- C27H39NO6
- Molecular weight
- 473.6
Names & synonyms
949588-03-81-BENZYL 16-(2,5-DIOXOPYRROLIDIN-1-YL) HEXADECANEDIOATE1-O-benzyl 16-O-(2,5-dioxopyrrolidin-1-yl) hexadecanedioate1-benzyl 2,5-dioxopyrrolidin-1-yl hexadecanedioateSCHEMBL4271195AKOS030628011AS-69990SY126756W12065A1-138131-BENZYL16-(2,5-DIOXOPYRROLIDIN-1-YL)HEXADECANEDIOATEHexadecanedioic acid benzyl ester 2,5-dioxo-pyrrolidin-1-yl ester
Show more names
hexadecanedioic acid benzyl ester N-hydroxysuccinimide ester1-benzyl 16-(2,5-dioxopyrrolidin-1-yl) hexadecanedioate(WXC02568)Hexadecanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) 16-(phenylmethyl) ester
Database identifiers
- CAS
949588-03-8- PubChem CID
- 87644408
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Boiling point
- 570.2 · 570.2±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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