(2R)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid
PubChem CID: 122706174
Connections displayed (default: 10).
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| Topological Polar Surface Area | 145.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -7.8 |
| Molecular Formula | C5H13N2O6P |
| Prediction Swissadme | 0.0 |
| Inchi Key | UQDJGEHQDNVPGU-SCSAIBSYSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.431 |
| Rotatable Bond Count | 7.0 |
| Logd | -2.155 |
| Compound Name | (2R)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.051 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 228.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 4.1404258 |
| Inchi | InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)/t4-/m1/s1 |
| Smiles | C(COP(=O)(O)OC[C@H](C(=O)O)N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coleus Frederici (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Libanotis Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mallotus Philippensis (Plant) Rel Props:Source_db:cmaup_ingredients