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Ibandronate Impurity 4

CAT: 1299-RM-I021404-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I021404-02Size:25 mg
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CAS Number
63132-39-8
Synonyms
(3- (dimethylamino) -1-hydroxypropane-1,1-diyl) diphosphonic acid
Molecular Formula
C5H15NO7P2
Molecular Weight
263.12
Target Alternative Name
Ibandronate
Product Name Synonym
(3- (dimethylamino) -1-hydroxypropane-1,1-diyl) diphosphonic acid

Chemical Information

Olpadronic Acid

Olpadronic acid is a small molecule drug. Olpadronic acid has a monoisotopic molecular weight of 263.03 Da.

CAS Number63132-39-8
PubChem CID198716
IUPAC Name[3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
Molecular FormulaC5H15NO7P2
Molecular Weight263.12
XLogP-5.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity283
SMILES
CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H15NO7P2/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
InChIKey
UGEPSJNLORCRBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olpadronic Acid
CAS: 63132-39-8
CID: 198716
Formula: C5H15NO7P2
MW: 263.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.12
XLogP3-5.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass263.03237581
Monoisotopic Mass263.03237581
Topological Polar Surface Area139 Ų
Heavy Atom Count15
Formal Charge0
Complexity283
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

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