SCHEMBL30368077
H₃O₄P·100.008 g/mol·CID 166897
IUPAC: dideuterio hydrogen phosphate
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
100.008g/mol
Exact Mass
99.989449Da
Monoisotopic Mass
99.989449Da
XLogP
-2.1
Polar Surface Area
77.8Ų
Complexity
49
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
0
Heavy Atoms
5
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 100.0 g/mol
MW ≤ 500
✓ -2.1
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula H₃O₄P
phosphoric acid
CID 1004 · 98.0 g/mol
hydron;phosphate
CID 22486802 · 98.0 g/mol
trideuterio phosphate
CID 3084191 · 101.0 g/mol
hydrogen phosphate;hydron
CID 172995034 · 98.0 g/mol
dihydrogen phosphate;hydron
CID 173209996 · 98.0 g/mol
CID 16213604
CID 16213604 · 102.0 g/mol
CID 71309211
CID 71309211 · 106.0 g/mol
CID 71181
CID 71181 · 99.0 g/mol