Phosphonic acid,P,P'-(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis- (180064-38-4)

The Minodronic acid, with the CAS registry number 180064-38-4, is also known as 1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-bis(phosphonic acid). This chemical's molecular formula is C₉H₁₂N₂O₇P₂ and molecular weight is 322.15. What's more, its IUPAC name is called (1-Hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid.

Properties Computed from Structure about Minodronic acid are: (1) XLogP3-AA: -2.2; (2) H-Bond Donor: 5; (3) H-Bond Acceptor: 8; (4) Rotatable Bond Count: 4; (5) Exact Mass: 322.011974; (6) MonoIsotopic Mass: 322.011974; (7) Topological Polar Surface Area: 153; (8) Heavy Atom Count: 20; (9) Formal Charge: 0; (10) Complexity: 439; (11) Isotope Atom Count: 0; (12) Defined Atom StereoCenter Count: 0; (13) Undefined Atom StereoCenter Count: 0; (14) Defined Bond StereoCenter Count: 0; (15) Undefined Bond StereoCenter Count: 0; (16) Covalently-Bonded Unit Count: 1; (17) Feature 3D Acceptor Count: 7; (18) Feature 3D Donor Count: 1; (19) Feature 3D Anion Count:2; (20) Feature 3D Cation Count: 1; (21) Feature 3D Ring Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O
(2) 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)
(3) InChIKey: VMMKGHQPQIEGSQ-UHFFFAOYSA-N