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203994-66-5 | D-Proline, 4-hydroxy-1-[(4-methoxyphenyl)sulfonyl]-, (4R)-
CAS No: 203994-66-5 Catalog No: AG002984 MDL No:
Product Description
Catalog Number:
AG002984
Chemical Name:
D-Proline, 4-hydroxy-1-[(4-methoxyphenyl)sulfonyl]-, (4R)-
CAS Number:
203994-66-5
Molecular Formula:
C12H15NO6S
Molecular Weight:
301.3156
IUPAC Name:
(2R,4R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H15NO6S/c1-19-9-2-4-10(5-3-9)20(17,18)13-7-8(14)6-11(13)12(15)16/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)/t8-,11-/m1/s1
InChI Key:
YBWUYYVFHIGKPL-LDYMZIIASA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1C(=O)O)O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
301.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.313g/mol
Monoisotopic Mass:
301.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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