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75755-10-1 | [2-(3-pyridinyl)ethylidene-1,1]bis(phosphonic acid)
CAS No: 75755-10-1 Catalog No: AG00G53E MDL No:
Product Description
Catalog Number:
AG00G53E
Chemical Name:
[2-(3-pyridinyl)ethylidene-1,1]bis(phosphonic acid)
CAS Number:
75755-10-1
IUPAC Name:
(1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
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)
InChI Key:
KZMOFWIRXNQJET-UHFFFAOYSA-N
UNII:
KU59Z0XVL4
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.114g/mol
Monoisotopic Mass:
267.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
Literature
| Title | Journal |
|---|---|
| Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. | Journal of medicinal chemistry 20080925 |
| Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase. | Journal of medicinal chemistry 20080410 |
| Synthesis and biological evaluation of alpha-halogenated bisphosphonate and phosphonocarboxylate analogues of risedronate. | Journal of medicinal chemistry 20071129 |
| Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates. | Journal of medicinal chemistry 20040115 |
| An investigation of bone resorption and Dictyostelium discoideum growth inhibition by bisphosphonate drugs. | Journal of medicinal chemistry 20020704 |
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