Hexane-1,2,3,4,5-pentol
PubChem CID: 3429
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| Compound Synonyms | hexane-1,2,3,4,5-pentol, NSC1948, 6-Deoxy-L-gulitol, FUCITOL (L), 1-Deoxyhexitol #, 6-Desoxy-l-altritol, 6-DEOXY-D-DULCITOL, SCHEMBL136701, NSC1957, CHEBI:165503, SKCKOFZKJLZSFA-UHFFFAOYSA-N, BCP30265, NSC-1948, LMFA05000598, AKOS024319435, L-Fucitol pound>>6-Deoxy-L-galactitol |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-glucitol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexane-1,2,3,4,5-pentol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | -2.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C6H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKCKOFZKJLZSFA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.052 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -1.901 |
| Synonyms | 1-Deoxy-D-glucitol, 6-Deoxy-L-gulitol, Fucitol |
| Compound Name | Hexane-1,2,3,4,5-pentol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.6852273999999998 |
| Inchi | InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3 |
| Smiles | CC(C(C(C(CO)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Hexoses |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients