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Etidronic acid monohydrate

CAT: 0931-TSH-00508-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TSH-00508-01Size:10 mg
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CAS Number
25211-86-3
Target
Others
Related Pathways
Others
Bioactivity
Etidronic acid monohydrate is a potent complexing agent used as a chelating agent to remove heavy metals from water.
Smiles
O=P(O)(O)C(O)(C)P(=O)(O)O.O
Molecular Formula
C2H10O8P2
Molecular Weight
224.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Etidronic acid monohydrate
CAS Number25211-86-3
PubChem CID12521030
IUPAC Name(1-hydroxy-1-phosphonoethyl)phosphonic acid;hydrate
Molecular FormulaC2H10O8P2
Molecular Weight224.04
Topological Polar Surface Area136
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity211
SMILES
CC(O)(P(=O)(O)O)P(=O)(O)O.O
InChI
InChI=1S/C2H8O7P2.H2O/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);1H2
InChIKey
KKNZXUHBWLPUFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etidronic acid monohydrate
CAS: 25211-86-3
CID: 12521030
Formula: C2H10O8P2
MW: 224.04
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight224.04
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass223.98509127
Monoisotopic Mass223.98509127
Topological Polar Surface Area136 Ų
Heavy Atom Count12
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes