(1S,2S,3S)-1-(5-methylpyrazin-2-yl)butane-1,2,3,4-tetrol
PubChem CID: 124355646
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,3S)-1-(5-methylpyrazin-2-yl)butane-1,2,3,4-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Molecular Formula | C9H14N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHCOCLGEHTXBQU-XHNCKOQMSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -0.271 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.928 |
| Compound Name | (1S,2S,3S)-1-(5-methylpyrazin-2-yl)butane-1,2,3,4-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 214.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.4063297999999998 |
| Inchi | InChI=1S/C9H14N2O4/c1-5-2-11-6(3-10-5)8(14)9(15)7(13)4-12/h2-3,7-9,12-15H,4H2,1H3/t7-,8-,9+/m0/s1 |
| Smiles | CC1=CN=C(C=N1)[C@@H]([C@@H]([C@H](CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients