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S-2,3-Dicarboxyaziridine

CAT: 0013-GTR19255971-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255971-01Size:50 mg
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Description
S-2,3-Dicarboxyaziridine is a metabolite that can be isolated from Streptomyces species and exhibits antibacterial activity.
CAS Number
57528-68-4
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) [C@@H]1[C@@H] (C (O) =O) N1
Molecular Formula
C4H5NO4
Molecular Weight
131.087
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3-Dicarboxyaziridine

structure given in first source

CAS Number57528-68-4
PubChem CID3080847
IUPAC Name(2S,3S)-aziridine-2,3-dicarboxylic acid
Molecular FormulaC4H5NO4
Molecular Weight131.09
XLogP-3.5
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity148
SMILES
[C@H]1([C@H](N1)C(=O)O)C(=O)O
InChI
InChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)/t1-,2-/m0/s1
InChIKey
IFCCPDAHQDGHMH-LWMBPPNESA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dicarboxyaziridine
CAS: 57528-68-4
CID: 3080847
Formula: C4H5NO4
MW: 131.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.09
XLogP3-3.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass131.02185764
Monoisotopic Mass131.02185764
Topological Polar Surface Area96.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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