(2R)-3-methylidenebutane-1,2,4-triol
PubChem CID: 5320267
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-3-methylidenebutane-1,2,4-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C5H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGARYUHLQUORKU-YFKPBYRVSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.106 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.891 |
| Compound Name | (2R)-3-methylidenebutane-1,2,4-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3122816000000003 |
| Inchi | InChI=1S/C5H10O3/c1-4(2-6)5(8)3-7/h5-8H,1-3H2/t5-/m0/s1 |
| Smiles | C=C(CO)[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artabotrys Hexapetalus (Plant) Rel Props:Source_db:cmaup_ingredients