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146086-80-8 | Phosphonic acid, P-[4-(hydroxyamino)-4-oxobutyl]-
CAS No: 146086-80-8 Catalog No: AG001DNR MDL No:
Product Description
Catalog Number:
AG001DNR
Chemical Name:
Phosphonic acid, P-[4-(hydroxyamino)-4-oxobutyl]-
CAS Number:
146086-80-8
Molecular Formula:
C4H10NO5P
Molecular Weight:
183.0997
IUPAC Name:
[4-(hydroxyamino)-4-oxobutyl]phosphonic acid
InChI:
InChI=1S/C4H10NO5P/c6-4(5-7)2-1-3-11(8,9)10/h7H,1-3H2,(H,5,6)(H2,8,9,10)
InChI Key:
AKXSFRVADDCWTF-UHFFFAOYSA-N
SMILES:
ONC(=O)CCCP(=O)(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
183.1g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
Literature
| Title | Journal |
|---|---|
| Growth inhibition of Mycobacterium smegmatis by prodrugs of deoxyxylulose phosphate reducto-isomerase inhibitors, promising anti-mycobacterial agents. | European journal of medicinal chemistry 20120501 |
| AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomerase. | Journal of medicinal chemistry 20050519 |
| Isoprenoid biosynthesis as a target for antibacterial and antiparasitic drugs: phosphonohydroxamic acids as inhibitors of deoxyxylulose phosphate reducto-isomerase. | The Biochemical journal 20050215 |
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