(2S)-2-amino-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 25099112
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 142.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxopentanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -4.9 |
| Molecular Formula | C10H16N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKPGGSOHTXQOGP-PTNSZRNDSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.684 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.392 |
| Compound Name | (2S)-2-amino-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxopentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.101 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 260.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.0294748 |
| Inchi | InChI=1S/C10H16N2O6/c11-6(10(16)17)3-7(14)8(15)12-9-5(4-13)1-2-18-9/h1,6-7,9,13-14H,2-4,11H2,(H,12,15)(H,16,17)/t6-,7?,9?/m0/s1 |
| Smiles | C1C=C(C(O1)NC(=O)C(C[C@@H](C(=O)O)N)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemerocallis Fulva (Plant) Rel Props:Source_db:cmaup_ingredients