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124351-86-6 | Phosphonic acid, P,P'-[(cyclooctylamino)methylene]bis-
CAS No: 124351-86-6 Catalog No: AG000LXF MDL No:
Product Description
Catalog Number:
AG000LXF
Chemical Name:
Phosphonic acid, P,P'-[(cyclooctylamino)methylene]bis-
CAS Number:
124351-86-6
Molecular Formula:
C9H21NO6P2
Molecular Weight:
301.2137
IUPAC Name:
[(cyclooctylamino)-phosphonomethyl]phosphonic acid
InChI:
InChI=1S/C9H21NO6P2/c11-17(12,13)9(18(14,15)16)10-8-6-4-2-1-3-5-7-8/h8-10H,1-7H2,(H2,11,12,13)(H2,14,15,16)
InChI Key:
YLTFIVZSTCIQHV-UHFFFAOYSA-N
SMILES:
OP(=O)(C(P(=O)(O)O)NC1CCCCCCC1)O
NSC Number:
723988
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
301.216g/mol
Monoisotopic Mass:
301.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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 |
| Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates. | Journal of medicinal chemistry 20040115 |
| Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo. | Journal of medicinal chemistry 20040101 |
| 3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates. | Journal of medicinal chemistry 20031120 |
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