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77449-96-8 | D-Proline, 1-acetyl-4-[[(4-methylphenyl)sulfonyl]oxy]-, cis-
CAS No: 77449-96-8 Catalog No: AG005LLF MDL No:
Product Description
Catalog Number:
AG005LLF
Chemical Name:
D-Proline, 1-acetyl-4-[[(4-methylphenyl)sulfonyl]oxy]-, cis-
CAS Number:
77449-96-8
Molecular Formula:
C14H17NO6S
Molecular Weight:
327.3529
IUPAC Name:
(2R,4R)-1-acetyl-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C14H17NO6S/c1-9-3-5-12(6-4-9)22(19,20)21-11-7-13(14(17)18)15(8-11)10(2)16/h3-6,11,13H,7-8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1
InChI Key:
ZGILGOQVJWEWSV-DGCLKSJQSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[C@@H]1C[C@@H](N(C1)C(=O)C)C(=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
327.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.351g/mol
Monoisotopic Mass:
327.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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