[Synonyms]
3-Amino-2-oxopropyl phosphate
CHEBI:1449
1-amino-propan-2-one-3-phosphate
1-Amino-3-(phosphohydroxy)propan-2-one
3-amino-2-oxopropyl dihydrogen phosphate
2-propanone, 1-amino-3-(phosphonooxy)-
C11638
2-Propanone, 1-amino-3-(phosphonooxy)- (9CI)
205189-34-0
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (3-amino-2-oxopropyl) dihydrogen phosphate
Canonical SMILES: C(C(=O)COP(=O)(O)O)N
InChI: InChI=1/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)/f/h6-7H
3-Amino-2-oxopropyl phosphate
CHEBI:1449
1-amino-propan-2-one-3-phosphate
1-Amino-3-(phosphohydroxy)propan-2-one
3-amino-2-oxopropyl dihydrogen phosphate
2-propanone, 1-amino-3-(phosphonooxy)-
C11638
2-Propanone, 1-amino-3-(phosphonooxy)- (9CI)
205189-34-0
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 169.073081 [g/mol] |
| Molecular Formula | C3H8NO5P |
| XLogP | -3.2 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 4 |
| Tautomer Count | 4 |
| Exact Mass | 169.014009 |
| MonoIsotopic Mass | 169.014009 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 162 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (3-amino-2-oxopropyl) dihydrogen phosphate
Canonical SMILES: C(C(=O)COP(=O)(O)O)N
InChI: InChI=1/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)/f/h6-7H
