(3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one
PubChem CID: 11126294
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| Compound Synonyms | 18465-71-9, 2-C-Methyl-D-erythrono-1,4-lactone, (3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one, (3R,4R)-3,4-Dihydroxy-3-methyldihydrofuran-2(3H)-one, UHG7K52SWD, ( C)-Erythro-saccharinic acid lactone, (3R,4R)-Dihydro-3,4-dihydroxy-3-methyl-2(3H)-furanone, 2(3H)-Furanone, dihydro-3,4-dihydroxy-3-methyl-, (3R,4R)-, 3,4-Dihydroxy-3-methyloxolan-2-one, (3R,4R)-, UNII-UHG7K52SWD, 2(3H)-Furanone, dihydro-3,4-dihydroxy-3-methyl-, (3R-cis)-, SCHEMBL4653435, DTXSID30456056, HY-N1722, AKOS015999005, FS-9430, Erythronic acid,2-C-methyl-,-lactone,D-, DB-338294, CS-0017384 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4R)-3,4-dihydroxy-3-methyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C5H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHTGZAWPVDWARE-NQXXGFSBSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.118 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.604 |
| Compound Name | (3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 132.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.07168700000000006 |
| Inchi | InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m1/s1 |
| Smiles | C[C@]1([C@@H](COC1=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anaphalis Margaritacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all