AG-G-96295
Basic information
- CAS
745053-49-0- Standard SMILES
O=C(O)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1- InChIKey
IMDSBCGXPMSCCM-MRXNPFEDSA-N- Molecular formula
- C17H22O5S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.11879497
Names & identifiers
- Preferred name
- AG-G-96295
- IUPAC
- (2R)-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid
- English name
- (R)-2-(4-CYCLOPROPANESULFONYLPHENYL)-3-(TETRAHYDROPYRAN-4-YL)PROPIONIC ACID
- Molecular formula
- C17H22O5S
- Molecular weight
- 338.42
Names & synonyms
745053-49-0DTXSID50469865AG-G-96295RefChem:317448DTXCID00420683(R)-2-(4-Cyclopropanesulfonylphenyl)-3-(tetrahydropyran-4-yl)propionic acid(R)-2-(4-(Cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)propanoic acid(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)propanoic acidSCHEMBL1107461IMDSBCGXPMSCCM-MRXNPFEDSA-N(2R)-2-(4-cyclopropanesulfonylphenyl)-3-(tetrahydropyran-4-yl)propionic acid(2R)-2-[4-(CYCLOPROPANESULFONYL)PHENYL]-3-(OXAN-4-YL)PROPANOIC ACID
Show more names
2H-Pyran-4-propanoic acid, α-[4-(cyclopropylsulfonyl)phenyl]tetrahydro-, (αR)-
(R)-2-(4-(Cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)propanoicacid
Database identifiers
- CAS
745053-49-0- PubChem CID
- 11638637
- DTXSID
DTXSID50469865
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Chemistry & industry
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Compound notes
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