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202477-59-6 | 1,2-Pyrrolidinedicarboxylic acid, 4-[(methylsulfonyl)oxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS No: 202477-59-6 Catalog No: AG00289G MDL No:MFCD09991611
Product Description
Catalog Number:
AG00289G
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-[(methylsulfonyl)oxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
CAS Number:
202477-59-6
Molecular Formula:
C11H18NO7S-
Molecular Weight:
308.3281
MDL Number:
MFCD09991611
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H19NO7S/c1-11(2,3)18-10(15)12-6-7(19-20(4,16)17)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1
InChI Key:
OGGZSVXCHFNXKA-SFYZADRCSA-N
SMILES:
O=C(N1C[C@@H](C[C@H]1C(=O)[O-])OS(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
309.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.333g/mol
Monoisotopic Mass:
309.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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