Erythro-1-(3-methoxy-4-hydroxy-phenyl)-propan-1,2-diol
PubChem CID: 53320292
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| Compound Synonyms | CHEMBL1682391, BDBM50337362, erythro-1-(3-methoxy-4-hydroxy-phenyl)-propan-1,2-diol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P00591 |
| Iupac Name | (1R,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C10H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PZKYCBMLUGVAGH-WKEGUHRASA-N |
| Fcsp3 | 0.4 |
| Logs | -0.987 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.585 |
| Compound Name | Erythro-1-(3-methoxy-4-hydroxy-phenyl)-propan-1,2-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 198.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.961294457142857 |
| Inchi | InChI=1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10-/m0/s1 |
| Smiles | C[C@@H]([C@@H](C1=CC(=C(C=C1)O)OC)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all