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124351-91-3 | Phosphonic acid, P,P'-[(cyclopropylamino)methylene]bis-
CAS No: 124351-91-3 Catalog No: AG000LXD MDL No:
Product Description
Catalog Number:
AG000LXD
Chemical Name:
Phosphonic acid, P,P'-[(cyclopropylamino)methylene]bis-
CAS Number:
124351-91-3
Molecular Formula:
C4H11NO6P2
Molecular Weight:
231.0808
IUPAC Name:
[(cyclopropylamino)-phosphonomethyl]phosphonic acid
InChI:
InChI=1S/C4H11NO6P2/c6-12(7,8)4(13(9,10)11)5-3-1-2-3/h3-5H,1-2H2,(H2,6,7,8)(H2,9,10,11)
InChI Key:
UGPXWDIZFKGVEG-UHFFFAOYSA-N
SMILES:
OP(=O)(C(P(=O)(O)O)NC1CC1)O
NSC Number:
723985
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
231.081g/mol
Monoisotopic Mass:
231.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3
Literature
| Title | Journal |
|---|---|
| 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 |
| 3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates. | Journal of medicinal chemistry 20031120 |
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