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Koningic acid

CAT: 1106-ENZ-CHM494-0001Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1106-ENZ-CHM494-0001Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74310-84-2
Product Name Alternative
(2’S,5aS,6R,9aS) -1,5a,6,7,8,9a-Hexahydro-6- (1-methylethyl) -1-oxo-spiro[2-benzoxepin-9 (3H) 2’-oxirane]-4-carboxylic acid
Certification
RUO
Target
GAPDH
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥95% (HPLC)
Solubility
Soluble in water (1 mg/ml) .
Molecular Formula
C 15 H 20 O 5
Molecular Weight
280.32
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
Off-white solid.
Identity
Determined by NMR.

Chemical Information

CID 10016502

1-Oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2/'-oxirane]-4-carboxylic acid has been reported in Aspergillus flavus with data available.

CAS Number74310-84-2
PubChem CID10016502
IUPAC Name1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
Molecular FormulaC15H20O5
Molecular Weight280.32
XLogP1.4
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity481
SMILES
CC(C)C1CCC2(CO2)C3C1C=C(COC3=O)C(=O)O
InChI
InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKey
JESMSCGUTIEROV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 10016502
CAS: 74310-84-2
CID: 10016502
Formula: C15H20O5
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass280.13107373
Monoisotopic Mass280.13107373
Topological Polar Surface Area76.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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