3-Amino-2-oxopropyl phosphate
PubChem CID: 5
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| Compound Synonyms | 3-Amino-2-oxopropyl phosphate, 3-amino-2-oxopropyl dihydrogen phosphate, 205189-34-0, (3-amino-2-oxopropyl) dihydrogen phosphate, 1-Amino-3-(phosphohydroxy)propan-2-one, CHEBI:1449, DTXSID90274253, 2-Propanone, 1-amino-3-(phosphonooxy)- (9CI), SCHEMBL1065797, DTXCID20225733, (3-amino-2-oxopropoxy)phosphonic acid, 2-propanone, 1-amino-3-(phosphonooxy)-, Q27105460 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-amino-2-oxopropyl) dihydrogen phosphate |
| Prediction Hob | 0.0 |
| Xlogp | -5.0 |
| Molecular Formula | C3H8NO5P |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIQNVODXENYOFK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.279 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.583 |
| Compound Name | 3-Amino-2-oxopropyl phosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 169.014 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.014 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 169.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.5194474 |
| Inchi | InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8) |
| Smiles | C(C(=O)COP(=O)(O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Campsis Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients