Tosyl-D-Proline
Basic information
- CAS
110771-95-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1- InChIKey
CGPHGPCHVUSFFA-LLVKDONJSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- Tosyl-D-Proline
- IUPAC
- (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
- English name
- Tos-D-Pro-OH
- Molecular formula
- C12H15NO4S
- Molecular weight
- 269.32
Names & synonyms
TOSYL-D-PROLINE110771-95-4(2R)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acidDTXSID60332192RefChem:190483DTXCID10283286TOS-D-PRO-OHN-tosyl-D-prolineMFCD002372891-tosyl-d-proline(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid1-[(4-methylphenyl)sulfonyl]-D-proline
Show more names
TOS-D-PROLINETosyl-D-proline≥ 98% (TLC)
CHEMBL3342261f4eD-Proline, 1-[(4-methylphenyl)sulfonyl]-EJ6WCK5RH8SCHEMBL2636629CGPHGPCHVUSFFA-LLVKDONJSA-NBDBM50149243EBC-66100
Database identifiers
- CAS
110771-95-4- PubChem CID
- 445504
- DTXSID
DTXSID60332192- ChEMBL
CHEMBL334226- UNII
- EJ6WCK5RH8
- Nikkaji
- J1.195.159G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 467.6 · 467.6±55.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT.
- pka
- 3.46 · 3.46±0.20(Predicted)
Related reactions
1 records
Compound notes
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