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Pluracidomycin A2

CAT: 0013-GTR19266170-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266170-02Size:50 mg
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Description
Pluracidomycin A2 (PLM A2) is a carbapenem antibiotic with activity against both Gram-positive and Gram-negative bacteria.
CAS Number
92755-79-8
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C1=C (S (=O) O) CC2N1C (=O) C2C (OS (=O) (=O) O) C
Molecular Formula
C9H11NO9S2
Molecular Weight
341.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Oxo-3-sulfino-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Number92755-79-8
PubChem CID13388083
IUPAC Name7-oxo-3-sulfino-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC9H11NO9S2
Molecular Weight341.3
XLogP-2
Topological Polar Surface Area186
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity661
SMILES
CC(C1C2CC(=C(N2C1=O)C(=O)O)S(=O)O)OS(=O)(=O)O
InChI
InChI=1S/C9H11NO9S2/c1-3(19-21(16,17)18)6-4-2-5(20(14)15)7(9(12)13)10(4)8(6)11/h3-4,6H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17,18)
InChIKey
XVLCZIROIOKOGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Oxo-3-sulfino-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS: 92755-79-8
CID: 13388083
Formula: C9H11NO9S2
MW: 341.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.3
XLogP3-2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass340.98752328
Monoisotopic Mass340.98752328
Topological Polar Surface Area186 Ų
Heavy Atom Count21
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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