L-Fucitol
PubChem CID: 445724
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| Compound Synonyms | L-Fucitol, 13074-06-1, fucitol, 1-deoxy-d-galactitol, 6-Deoxy-L-galactitol, D-Galactitol, 1-deoxy-, (2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol, (2R,3S,4R,5S)-Hexane-1,2,3,4,5-pentaol, L-Fuc-ol, FUCITOL, L-, UNII-961570X3WO, CHEBI:42600, NSC 1957, NSC-1957, MFCD00083329, 961570X3WO, 6-Deoxy-L-gulitol, 37114-30-0, FOC, DTXSID30199557, 6-deoxy L-galactitol, (2R,3S,4S,5S)-hexane-1,2,3,4,5-pentol, SCHEMBL1017001, DTXCID90122048, CHEBI:177915, SKCKOFZKJLZSFA-KCDKBNATSA-N, DTXSID201318579, HY-N4112, s3230, AKOS006274120, DB03815, MF44825, AS-57659, DB-250385, CS-0032120, NS00069062, C72222, Q3090510, Rel-(2R,3S,4R,5S)-hexane-1,2,3,4,5-pentaol, (2R pound not3S pound not4R pound not5S)-Hexane-1 pound not2 pound not3 pound not4 pound not5-pentaol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OC[C@H][C@@H][C@@H][C@@H]O)C))O))O))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKCKOFZKJLZSFA-KCDKBNATSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -0.01 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.978 |
| Synonyms | Fucitol, fucitol, l-fucitol |
| Esol Class | Highly soluble |
| Functional Groups | CO |
| Compound Name | L-Fucitol |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 0.6852273999999998 |
| Inchi | InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1 |
| Smiles | C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Hexoses |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ambroma Augusta (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all