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PATULIN

CAT: 0013-GTR19158769-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158769-02Size:200 mg
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Description
Patulin is a mycotoxin produced by a variety of molds commonly found in rotting apples including Aspergillus and Penicillium.
CAS Number
149-29-1
Product Name Alternative
Clavacin | Expansin | Claviform
Purity
>98% (HPLC)
Solubility
Ethanol:<1 mg/mL; DMSO:<1 mg/mL; Water:100 mg/mL (127.77 mM)
Smiles
C1C=C2C (=CC (=O) O2) C (O1) O
Molecular Formula
C7H6O4
Molecular Weight
154.12
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Patulin

Patulin is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. It has a role as a mutagen, a mycotoxin, an antimicrobial agent, a carcinogenic agent, an Aspergillus metabolite and a Penicillium metabolite. It is a gamma-lactone, a lactol and a furopyran.

CAS Number149-29-1
PubChem CID4696
IUPAC Name4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
Molecular FormulaC7H6O4
Molecular Weight154.12
XLogP-1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity264
SMILES
C1C=C2C(=CC(=O)O2)C(O1)O
InChI
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
InChIKey
ZRWPUFFVAOMMNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Patulin
CAS: 149-29-1
CID: 4696
Formula: C7H6O4
MW: 154.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.12
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass154.02660867
Monoisotopic Mass154.02660867
Topological Polar Surface Area55.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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