L-Rhamnono-1,4-lactone
PubChem CID: 5460219
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| Compound Synonyms | L-Rhamnono-1,4-lactone, L-Rhamno-1,4-lactone, 6-deoxy-L-mannono-1,4-lactone, (3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-one, L-rhamnono-gamma-lactone, CHEBI:17937, 3,4-dihydroxy-5-(1-hydroxyethyl)tetrahydrofuran-2-one, (3R,4S,5S)-3,4-Dihydroxy-5-((S)-1-hydroxyethyl)dihydrofuran-2(3H)-one, (3R,4S,5S)-3,4-dihydroxy-5-((1S)-1-hydroxyethyl)oxolan-2-one, SCHEMBL290915, L-Rhamnono-1,4-lactone, >=98% (TLC), CS-0343608, C02991, Q27102728 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | C[C@@H][C@@H]OC=O)[C@@H][C@@H]5O))O)))))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Lactones |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Gamma butyrolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O5 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Inchi Key | VASLEPDZAKCNJX-KLVWXMOXSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-rhamnono-1,4-lactone |
| Esol Class | Very soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | L-Rhamnono-1,4-lactone |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4+,5-/m0/s1 |
| Smiles | C[C@@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates, Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279