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Risedronate EP Impurity E

CAT: 1596-AR-R02074-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
75755-10-1
Synonyms
Deoxy Risedronic Acid; (2- (pyridin-3-yl) ethane-1,1-diyl) diphosphonic acid; Risedronate Related Compound C
Molecular Formula
C7H11NO6P2
Molecular Weight
267.11
API Name
Risedronic Acid

Chemical Information

Deoxy risedronic acid
CAS Number75755-10-1
PubChem CID10468166
IUPAC Name(1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
Molecular FormulaC7H11NO6P2
Molecular Weight267.11
XLogP-2.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity301
SMILES
C1=CC(=CN=C1)CC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)
InChIKey
KZMOFWIRXNQJET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deoxy risedronic acid
CAS: 75755-10-1
CID: 10468166
Formula: C7H11NO6P2
MW: 267.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight267.11
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass267.00616107
Monoisotopic Mass267.00616107
Topological Polar Surface Area128 Ų
Heavy Atom Count16
Formal Charge0
Complexity301
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