5-Deoxy-L-arabinonic acid gamma-lactone
PubChem CID: 11378506
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| Compound Synonyms | 76647-70-6, 5-Deoxy-L-arabonic acid 1,4-lactone, (3R,4R,5S)-3,4-DIHYDROXY-5-METHYLOXOLAN-2-ONE, L-5-DEOXY-ARABINONO-1,4-LACTONE, (3R,4R,5S)-3,4-dihydroxy-5-methyldihydrofuran-2(3H)-one, L-Arabinonic acid, 5-deoxy-, g-lactone, SCHEMBL15366478, DTXSID90463983, JYHWQRJRDKSSIF-YVZJFKFKSA-N, AKOS006292437, MD09394, 5-Deoxy-L-arabinonic acid gamma-lactone, 5-Deoxy-L-arabino-1,4-lactone, >=97.0% (TLC), (3r,4r,5s)-3,4-dihydroxy-5-methyl-dihydrofuran-2-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,4R,5S)-3,4-dihydroxy-5-methyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C5H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYHWQRJRDKSSIF-YVZJFKFKSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.078 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.394 |
| Compound Name | 5-Deoxy-L-arabinonic acid gamma-lactone |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.08581299999999992 |
| Inchi | InChI=1S/C5H8O4/c1-2-3(6)4(7)5(8)9-2/h2-4,6-7H,1H3/t2-,3-,4+/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H](C(=O)O1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Glauca (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fraxinus Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sedum Acre (Plant) Rel Props:Source_db:cmaup_ingredients