Ethanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
Basic information
- CAS
152270-98-9- Standard SMILES
CCCNCC(O)COc1ccc(C(C)=O)cc1COCCC.CCCNCC(O)COc1ccc(C(C)=O)cc1COCCC.O=C(O)/C=C/C(=O)O- InChIKey
VHEUZUDESDMICS-WXXKFALUSA-N- Molecular formula
- C40H62N2O12
- Average molar mass
- 762.9 g/mol
- Monoisotopic mass
- 762.43027542
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
- IUPAC
- (E)-but-2-enedioic acid;bis(1-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone)
Names & synonyms
152270-98-9Ethanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)RefChem:1084529
Database identifiers
- CAS
152270-98-9- PubChem CID
- 6448829
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 26
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 443
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