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Oxosorbicillinol

CAT: 0013-GTR19231631-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231631-02Size:2 mg
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Description
Oxosorbicillinol (CAS 271795-00-7) is a natural product employed as a reference standard in research. It is utilized in biochemical studies to investigate its biological activities, including in vitro assays relevant to antimicrobial and cytotoxic research.
CAS Number
271795-00-7
Smiles
C\C=C\C=C\C (\O) =C1\C (=O) C (C) =C (O) [C@@] (C) (O) C1=O
Molecular Formula
C14H16O5
Molecular Weight
264.277
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxosorbicillinol

Oxosorbicillinol is a member of benzoquinones and a quinone.

CAS Number271795-00-7
PubChem CID10015650
IUPAC Name(2R,6E)-2,5-dihydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
Molecular FormulaC14H16O5
Molecular Weight264.27
XLogP1.7
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity548
SMILES
C/C=C/C=C/C(=C\1/C(=C(C(=O)[C@@](C1=O)(C)O)C)O)/O
InChI
InChI=1S/C14H16O5/c1-4-5-6-7-9(15)10-11(16)8(2)12(17)14(3,19)13(10)18/h4-7,15-16,19H,1-3H3/b5-4+,7-6+,10-9+/t14-/m1/s1
InChIKey
JSSFRHLBNRCOAQ-KGAWMYLDSA-N
Chemical Structure
2D Structure
2D structure of Oxosorbicillinol
CAS: 271795-00-7
CID: 10015650
Formula: C14H16O5
MW: 264.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.27
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass264.09977361
Monoisotopic Mass264.09977361
Topological Polar Surface Area94.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T125147-01Oxosorbicillinol

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