Sorbose, L-
PubChem CID: 1101
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| Compound Synonyms | 1,3,4,5,6-pentahydroxyhexan-2-one, Sorbose, L-, 551-68-8, Hex-2-ulose, 139686-85-4, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, L-Sorbinose, CHEBI:27922, L-xylo-2-Hexulose, Sorbinose, xylo-Hexulose, L-1,3,4,5,6-Pentahydroxyhexan-2-one, Tagatose, D- (8CI), hexulose, Allulose powder, NCGC00160604-01, Hex-2-ulose, L-xylo-, MLS001361377, CHEMBL23894, SCHEMBL815860, DTXSID50859146, HMS2232K19, HMS3372A14, NSC97195, AKOS003628599, L-1,4,5,6-Pentahydroxyhexan-2-one, CCG-214787, SB44406, SB44760, SB44844, SB44849, SB45028, SB45040, SB45282, NCGC00160604-02, SMR000857390, DB-048924, DB-057024, P1699, EN300-85889, BRD-A73556557-001-06-4, 377CC336-5E80-45CE-8DA4-586A79C1EA77 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10323, P00811, O75164, P11473, P39748, P49798, Q9UBT6, O94925, O75496, Q13526, Q9NUW8, P53350 |
| Iupac Name | 1,3,4,5,6-pentahydroxyhexan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -3.2 |
| Molecular Formula | C6H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJHIKXHVCXFQLS-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | 0.062 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.465 |
| Compound Name | Sorbose, L- |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4142328000000004 |
| Inchi | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2 |
| Smiles | C(C(C(C(C(=O)CO)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all