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70010-90-1 | {[(4,6-dimethylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
CAS No: 70010-90-1 Catalog No: AG005GKO MDL No:
Product Description
Catalog Number:
AG005GKO
Chemical Name:
{[(4,6-dimethylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
CAS Number:
70010-90-1
Molecular Formula:
C8H14N2O6P2
Molecular Weight:
296.1541
IUPAC Name:
[[(4,6-dimethylpyridin-2-yl)amino]-phosphonomethyl]phosphonic acid
InChI:
InChI=1S/C8H14N2O6P2/c1-5-3-6(2)9-7(4-5)10-8(17(11,12)13)18(14,15)16/h3-4,8H,1-2H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)
InChI Key:
MISHIOYEBLOUTF-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(c1)C)NC(P(=O)(O)O)P(=O)(O)O
NSC Number:
723989
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
296.156g/mol
Monoisotopic Mass:
296.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin. | Journal of medicinal chemistry 20061214 |
| Bisphosphonate inhibitors of Toxoplasma gondi growth: in vitro, QSAR, and in vivo investigations. | Journal of medicinal chemistry 20050505 |
| Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo. | Journal of medicinal chemistry 20040101 |
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