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Methylenomycin A

CAT: 0013-GTR19254735-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254735-02Size:10 mg
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Description
Methylenomycin A is a cyclopentanone-derived antibiotic effective against both Gram-negative and Gram-positive bacteria.
CAS Number
52775-76-5
Field of Research
Infectious Disease & Virology
Smiles
C[C@]12[C@] (C) (O1) C (=O) C (=C) [C@H]2C (O) =O
Molecular Formula
C9H10O4
Molecular Weight
182.173
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1S,2R,5S)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo(3.1.0)hexane-2-carboxylic acid

Methylenomycin A is a member of oxanes.

CAS Number52775-76-5
PubChem CID10899285
IUPAC Name(1S,2R,5S)-1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP0
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity346
SMILES
C[C@]12[C@@H](C(=C)C(=O)[C@]1(O2)C)C(=O)O
InChI
InChI=1S/C9H10O4/c1-4-5(7(11)12)8(2)9(3,13-8)6(4)10/h5H,1H2,2-3H3,(H,11,12)/t5-,8-,9+/m0/s1
InChIKey
HBECYYFDLZZMPL-WLGLDCGKSA-N
Chemical Structure
2D Structure
2D structure of (1S,2R,5S)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo(3.1.0)hexane-2-carboxylic acid
CAS: 52775-76-5
CID: 10899285
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area66.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN9932-01Methylenomycin A
TN10413-01Methylenomycin B
MBS1089050-01Recombinant Streptomyces coelicolor Methylenomycin A resistance protein (mmr), partial

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