Minodronic acid 50mg

CAT: 0628-A21975-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A21975-50Size:50 mg

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CAS Number

180064-38-4

Chemical Information

Minodronic Acid

See also: Minodronic acid monohydrate (annotation moved to).

CAS Number	180064-38-4
PubChem CID	130956
IUPAC Name	(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid
Molecular Formula	C9H12N2O7P2
Molecular Weight	322.15
XLogP	-2.2
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	439

SMILES

C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)

InChIKey

VMMKGHQPQIEGSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 180064-38-4

CID: 130956

Formula: C9H12N2O7P2

MW: 322.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.15
XLogP3	-2.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	322.01197472
Monoisotopic Mass	322.01197472
Topological Polar Surface Area	153 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
577430	Minodronic acid
328607	Minodronic Acid Monohydrate
AR-M04730-01	Minodronic Acid-13C4
HY-16322A-01	Minodronic acid (hydrate)
HY-16322S-01	Minodronic acid-d4