1.0
2011-09-21 00:27:54 UTC
2015-10-09 22:32:01 UTC
FDB023313
Phosphonoacetate
A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [HMDB]
Carboxymethaneonate
Carboxymethaneonic acid
Carboxymethanephosphonate
Carboxymethanephosphonic acid
Disodium carboxymethylonate
Disodium carboxymethylphosphonate
Disodium onoacetate
Disodium onoacetate monohydrate
Disodium phosphonoacetate
Disodium phosphonoacetate monohydrate
Fosfonet
Fosfonet sodium
Fosfonoacetate
Fosfonoacetic acid
Lopac-P-6909
Onacetate
Onacetic acid
Onoacetate
Onoacetic acid
PAE
Phosphonacetate
Phosphonacetic acid
Phosphonoacetate
Phosphonoacetic acid
PPA
C2H5O5P
140.0319
139.987459782
2-phosphonoacetic acid
phosphonoacetic acid
4408-78-0
OC(=O)CP(O)(O)=O
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
XUYJLQHKOGNDPB-UHFFFAOYSA-N
Solid
logp
-2.58
logs
-0.75
solubility
2.51e+01 g/l
logp
-1.6
pka_strongest_acidic
1.64
iupac
2-phosphonoacetic acid
average_mass
140.0319
mono_mass
139.987459782
smiles
OC(=O)CP(O)(O)=O
formula
C2H5O5P
inchi
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
inchikey
XUYJLQHKOGNDPB-UHFFFAOYSA-N
polar_surface_area
94.83
refractivity
23.63
polarizability
9.63
rotatable_bond_count
2
acceptor_count
5
donor_count
3
physiological_charge
-2
formal_charge
0
Specdb::NmrTwoD
1926
Specdb::CMs
1211
Specdb::CMs
22302
Specdb::CMs
31503
Specdb::CMs
38715
Specdb::CMs
131854
Specdb::CMs
139588
Specdb::MsIr
2138
Specdb::MsIr
2139
Specdb::MsIr
2140
Specdb::NmrOneD
1991
Specdb::NmrOneD
41602
Specdb::NmrOneD
41603
Specdb::NmrOneD
41604
Specdb::NmrOneD
41605
Specdb::NmrOneD
41606
Specdb::NmrOneD
41607
Specdb::NmrOneD
41608
Specdb::NmrOneD
41609
Specdb::NmrOneD
41610
Specdb::NmrOneD
41611
Specdb::NmrOneD
41612
Specdb::NmrOneD
41613
Specdb::NmrOneD
41614
Specdb::NmrOneD
41615
Specdb::NmrOneD
41616
Specdb::NmrOneD
41617
Specdb::NmrOneD
41618
Specdb::NmrOneD
41619
Specdb::NmrOneD
41620
Specdb::NmrOneD
41621
Specdb::NmrOneD
166375
Specdb::NmrOneD
166578
Specdb::MsMs
2364
Specdb::MsMs
2365
Specdb::MsMs
2366
Specdb::MsMs
6008
Specdb::MsMs
6009
Specdb::MsMs
6010
Specdb::MsMs
6011
Specdb::MsMs
6012
Specdb::MsMs
10997
Specdb::MsMs
10998
Specdb::MsMs
10999
Specdb::MsMs
17669
Specdb::MsMs
17670
Specdb::MsMs
17671
Specdb::MsMs
446847
Specdb::MsMs
446848
Specdb::MsMs
446849
Specdb::MsMs
446850
Specdb::MsMs
446851
Specdb::MsMs
2236346
Specdb::MsMs
2237026
Specdb::MsMs
2238437
Specdb::MsMs
2391253
Specdb::MsMs
2391254
Specdb::MsMs
2391255
HMDB04110
15732
PAE
#<Reference:0x0000555676037b28>
#<Reference:0x0000555676037970>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823