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FR900098

CAT: 0013-GTR19262091-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262091-01Size:50 mg
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Description
FR900098 is an antimalarial agent that inhibits 1-deoxy-D-xylulose-5-phosphate (DXP) reductoisomerase. It exhibits no significant acute toxicity or genotoxicity and does not have the capability to cause chromosomal breaks or heterogeneity. Additionally, FR900098 has no impact on the bone marrow erythrocytes of NMRI mice.
CAS Number
66508-32-5
Field of Research
Infectious Disease & Virology
Smiles
O=C (N (O) CCCP (=O) (O) O) C
Molecular Formula
C5H12NO5P
Molecular Weight
197.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FR 900098

FR 900098 is a phosphonoacetic acid. It is a conjugate acid of a FR-900098(1-).

CAS Number66508-32-5
PubChem CID162204
IUPAC Name3-[acetyl(hydroxy)amino]propylphosphonic acid
Molecular FormulaC5H12NO5P
Molecular Weight197.13
XLogP-2.2
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity200
SMILES
CC(=O)N(CCCP(=O)(O)O)O
InChI
InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
InChIKey
PKMNDDZSIHLLLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FR 900098
CAS: 66508-32-5
CID: 162204
Formula: C5H12NO5P
MW: 197.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.13
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass197.04530948
Monoisotopic Mass197.04530948
Topological Polar Surface Area98.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T209443-01FR900098
HY-122817-01FR900098 (sodium)
T35740FR900098 (sodium salt)
M15798-01FR900098 sodium salt

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