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Phosphonoacetic acid

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Category Orthopoxvirus
CAS 4408-78-0
Description Phosphonoacetic acid (CAS# 4408-78-0) is an anti-viral agent. It is also used in viral infection modifications and in superinfection exclusions from preventing cells from being infected by a second viral attack.
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Product Information

Synonyms 2-phosphonoacetic acid
IUPAC Name 2-phosphonoacetic acid
Molecular Weight 140.03
Molecular Formula C2H5O5P
Canonical SMILES C(C(=O)O)P(=O)(O)O
InChI InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey XUYJLQHKOGNDPB-UHFFFAOYSA-N
Boiling Point 490.2 ℃ at 760 mmHg
Melting Point 143-146 °C
Flash Point 267.9ºC
Purity 98 %
Density 1.858 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance White to off-white powder or crystals
Storage 4°C, sealed storage, away from moisture
* In solvent :
-80°C, 6 months
-20°C, 1 month (sealed storage, away from moisture)
Complexity 133
Exact Mass 139.98746025
Index Of Refraction 1.543
PSA 121.71000
Target Orthopoxvirus; Endogenous Metabolite
Vapor Pressure 3.52E-12mmHg at 25°C
XLogP3-AA -2

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