(2S,3R,4S,5S,6R)-2-Ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
PubChem CID: 9815668
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| Compound Synonyms | 19467-01-7, Ethyl Alpha-D-Glucoside, Ethyl alpha-d-glucopyranoside, (2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL, (2S,3R,4S,5S,6R)-2-Ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 74JV4L4VZC, (2S,3R,4S,5S,6R)-2-ETHOXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL, ETHYL A-D-GLUCOPYRANOSIDE, (2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol, -Ethyl glucoside, ethyl -d-glucoside, Ethyl hexopyranoside, Ethyl glucoside, alpha-, UNII-74JV4L4VZC, alpha-D-Glucopyranoside, ethyl, SCHEMBL1129205, CHEMBL2059297, DTXSID30941215, ETHYL .ALPHA.-D-GLUCOSIDE, ETHYL GLUCOSIDE, .ALPHA.-, ME08383, .ALPHA.-D-GLUCOPYRANOSIDE, ETHYL, BW3 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C8H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYUFTYLVLQZQNH-CBQIKETKSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.055 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.64 |
| Compound Name | (2S,3R,4S,5S,6R)-2-Ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5034979999999996 |
| Inchi | InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 |
| Smiles | CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all