Tìm theo
Phosphonoacetic Acid
Thuốc Gốc
Small Molecule
CAS: 4408-78-0
CTHH: C2H5O5P
PTK: 140.0319
A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C2H5O5P
Phân tử khối
140.0319
Monoisotopic mass
139.987459782
InChI
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChI Key
InChIKey=XUYJLQHKOGNDPB-UHFFFAOYSA-N
IUPAC Name
2-phosphonoacetic acid
Traditional IUPAC Name
phosphonoacetic acid
SMILES
OC(=O)CP(O)(O)=O
Độ tan chảy
143-146 °C
Độ hòa tan
3.92E+005 mg/L (at 0 °C)
logP
-1.6
logS
-0.75
pKa (strongest acidic)
1.64
PSA
94.83 Å2
Refractivity
23.63 m3·mol-1
Polarizability
9.63 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
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