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Zoledronic acid, anhydrous

CAT: 0024-sc-364663ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-364663ASize:100 mg
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CAS Number
118072-93-8

Chemical Information

Zoledronic Acid

Zoledronic acid is an imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position. It has a role as a bone density conservation agent. It is a member of imidazoles and a 1,1-bis(phosphonic acid).

CAS Number118072-93-8
PubChem CID68740
IUPAC Name(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
Molecular FormulaC5H10N2O7P2
Molecular Weight272.09
XLogP-4.3
Topological Polar Surface Area153
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity327
SMILES
C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
InChIKey
XRASPMIURGNCCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zoledronic Acid
CAS: 118072-93-8
CID: 68740
Formula: C5H10N2O7P2
MW: 272.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.09
XLogP3-4.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass271.99632466
Monoisotopic Mass271.99632466
Topological Polar Surface Area153 Ų
Heavy Atom Count16
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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