CID 40609194
PubChem CID
40609194
Structure
Molecular Formula
Status
Non-live
Molecular Weight
318.75 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2S,4S)-1-(4-chlorophenyl)sulfonyl-4-methoxypyrrolidine-2-carboxylate
InChI=1S/C12H14ClNO5S/c1-19-9-6-11(12(15)16)14(7-9)20(17,18)10-4-2-8(13)3-5-10/h2-5,9,11H,6-7H2,1H3,(H,15,16)/p-1/t9-,11-/m0/s1
DBMITTZCKBNNJS-ONGXEEELSA-M
CO[C@H]1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)[O-]
C12H13ClNO5S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
318.75 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
318.0202964 g/mol
Property Name
Monoisotopic Mass
Property Value
318.0202964 g/mol
Property Name
Topological Polar Surface Area
Property Value
95.1 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
449
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS