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S186

CAT: 0931-T19555-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19555-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97759-16-5
Target
Others
Related Pathways
Others
Bioactivity
S186 is a sodium salt of calcium-acetylpropylamine phosphonate (APA) and serves as a novel agent for strontium-specific chelation.
Smiles
[Na].[CaH2].CCC(NC(C)=O)(P(O)(O)=O)P(O)(O)=O
Molecular Formula
C5H15CaNNaO7P2
Molecular Weight
326.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 127255645
CAS Number97759-16-5
PubChem CID127255645
Molecular FormulaC5H13CaNNaO7P2
Molecular Weight324.17
Topological Polar Surface Area144
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity319
SMILES
CCC(NC(=O)C)(P(=O)(O)O)P(=O)(O)O.[Na].[Ca]
InChI
InChI=1S/C5H13NO7P2.Ca.Na/c1-3-5(6-4(2)7,14(8,9)10)15(11,12)13;;/h3H2,1-2H3,(H,6,7)(H2,8,9,10)(H2,11,12,13);;
InChIKey
WPTHTLCSASTWJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 127255645
CAS: 97759-16-5
CID: 127255645
Formula: C5H13CaNNaO7P2
MW: 324.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.17
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass323.9690859
Monoisotopic Mass323.9690859
Topological Polar Surface Area144 Ų
Heavy Atom Count17
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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