1.0
2020-04-03 16:30:11 UTC
2020-04-03 16:30:13 UTC
FDB098105
Fosfomycin
C3H7O4P
138.059
138.008195224
[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
fosfomycin
[H][C@@]1(C)O[C@]1([H])P(O)(O)=O
InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
YMDXZJFXQJVXBF-STHAYSLISA-N
logp
-0.86
logs
-0.47
solubility
4.69e+01 g/l
logp
-0.74
pka_strongest_acidic
1.25
pka_strongest_basic
-4.3
iupac
[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
average_mass
138.059
mono_mass
138.008195224
smiles
[H][C@@]1(C)O[C@]1([H])P(O)(O)=O
formula
C3H7O4P
inchi
InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
inchikey
YMDXZJFXQJVXBF-STHAYSLISA-N
polar_surface_area
70.06
refractivity
25.87
polarizability
10.8
rotatable_bond_count
1
acceptor_count
4
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::MsIr
3143
Specdb::MsIr
3144
Specdb::MsIr
3145
Specdb::CMs
1052
Specdb::CMs
21972
Specdb::CMs
31584
Specdb::CMs
155017
Specdb::NmrOneD
153330
Specdb::NmrOneD
153331
Specdb::NmrOneD
153332
Specdb::NmrOneD
153333
Specdb::NmrOneD
153334
Specdb::NmrOneD
153335
Specdb::NmrOneD
153336
Specdb::NmrOneD
153337
Specdb::NmrOneD
153338
Specdb::NmrOneD
153339
Specdb::NmrOneD
153340
Specdb::NmrOneD
153341
Specdb::NmrOneD
153342
Specdb::NmrOneD
153343
Specdb::NmrOneD
153344
Specdb::NmrOneD
153345
Specdb::NmrOneD
153346
Specdb::NmrOneD
153347
Specdb::NmrOneD
153348
Specdb::NmrOneD
153349
Specdb::MsMs
47688
Specdb::MsMs
47689
Specdb::MsMs
47690
Specdb::MsMs
117156
Specdb::MsMs
117157
Specdb::MsMs
117158
Specdb::MsMs
3219169
Specdb::MsMs
3219170
Specdb::MsMs
3219171
Specdb::MsMs
3219172
Specdb::MsMs
3219173
Specdb::MsMs
3219174
Milk (Cow)
Type 2
specific