Laevuflex
PubChem CID: 3426
Connections displayed (default: 10).
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| Compound Synonyms | Laevuflex, 2-(hydroxymethyl)oxane-2,3,4,5-tetrol, a-d-fructopyranose, FRUCTOSE, (D), L-[6-13C]sorbose, D-[6-13C]FRUCTOSE, 6347-01-9, NSC9250, D-Fructose-3-d, L-[5-13C]SORBOSE, D-[1-13C]TAGATOSE, L-fructose-1-13C, D-[2-13C]tagatose, L-[4-13C]sorbose, D-[4,5-2H2]fructose, laevosan, 686298-95-3, 249928-59-4, 478506-36-4, 478506-42-2, D-Fructose-4,5,6,6-d4, Hex-2-ulopyranose, 117013-21-5, 478506-34-2, 478518-48-8, 478518-49-9, 53685-24-8, 84270-09-7, D-[4,5,6,6'-2H4]FRUCTOSE, Hex-2-ulopyranose #, CHEMBL23954, SCHEMBL6671797, DTXSID10859147, LKDRXBCSQODPBY-UHFFFAOYSA-N, DUA51849, ZJA92859, LS-13187 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10323 |
| Iupac Name | 2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -2.8 |
| Molecular Formula | C6H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKDRXBCSQODPBY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.067 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.709 |
| Compound Name | Laevuflex |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8982327999999999 |
| Inchi | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 |
| Smiles | C1C(C(C(C(O1)(CO)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all