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Hex

CAT: 0931-T39419Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T39419Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2004714-32-1
Target
Glucokinase, Others
Related Pathways
Others, Metabolism
Bioactivity
Hex is a potent inhibitor of enolase, exhibiting inhibitory activity with Ki values of 74.4 nM and 269.4 nM against ENO2 and ENO1, respectively.
Smiles
P(=O)(O)(O)C1C(=O)N(O)CCC1
Molecular Formula
C5H10NO5P
Molecular Weight
195.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid
CAS Number2004714-32-1
PubChem CID122540907
IUPAC Name(1-hydroxy-2-oxopiperidin-3-yl)phosphonic acid
Molecular FormulaC5H10NO5P
Molecular Weight195.11
XLogP-1.5
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity236
SMILES
C1CC(C(=O)N(C1)O)P(=O)(O)O
InChI
InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
InChIKey
DVZQUMSQEGOYMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid
CAS: 2004714-32-1
CID: 122540907
Formula: C5H10NO5P
MW: 195.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.11
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass195.02965942
Monoisotopic Mass195.02965942
Topological Polar Surface Area98.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity236
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