L-Glucurono-3,6-lactone
PubChem CID: 71317103
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| Compound Synonyms | L-Glucurono-3,6-lactone, 32449-80-2, (3R,6S,6As)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one, DTXSID10747858, (3S,3aS,6R)-3,5,6-trihydroxy-hexahydrofuro[3,2-b]furan-2-one, (3S,3aS,6R)-3,5,6-Trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC2CCCC2C1 |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | O[C@H]CO)O[C@@H]C5OC=O)[C@H]5O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Furofurans |
| Scaffold Graph Node Level | OC1CC2OCCC2O1 |
| Classyfire Subclass | Isosorbides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,6S,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8O6 |
| Scaffold Graph Node Bond Level | O=C1CC2OCCC2O1 |
| Inchi Key | OGLCQHRZUSEXNB-UCDXPBRXSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | l-glucuronic acid |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)=O, COC(C)O |
| Compound Name | L-Glucurono-3,6-lactone |
| Exact Mass | 176.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 176.12 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2+,3?,4+,5?/m1/s1 |
| Smiles | [C@H]12[C@@H](C(=O)OC1[C@H](C(O2)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Catechu (Plant) Rel Props:Reference:ISBN:9770972795006