P-(Nitromethyl)phosphonic acid
CH₄NO₅P·141.020 g/mol·CID 17920607
IUPAC: nitromethylphosphonic acid
Also known as: 58530-17-9, RefChem:367551, nitromethylphosphonic acid, (Nitromethyl)phosphonic acid, SCHEMBL6574420 (+2 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
141.020g/mol
Exact Mass
140.982709Da
Monoisotopic Mass
140.982709Da
XLogP
-1.7
Polar Surface Area
103.0Ų
Complexity
130
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
5
Rotatable Bonds
1
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 141.0 g/mol
MW ≤ 500
✓ -1.7
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula CH₄NO₅P
phosphono carbamate
CID 278 · 141.0 g/mol
hydroxycarbamoylphosphonic acid
CID 10909660 · 141.0 g/mol
phosphonocarbamic acid
CID 19381121 · 141.0 g/mol
[aminooxy(hydroxy)phosphoryl]formic acid
CID 54461121 · 141.0 g/mol
aminooxycarbonylphosphonic acid
CID 129817049 · 141.0 g/mol
phosphono carbamate
CID 13874175 · 143.0 g/mol
carbamoyl(hydroperoxy)phosphinic acid
CID 21246103 · 141.0 g/mol
formamido dihydrogen phosphate
CID 57287905 · 141.0 g/mol