Pentane-1,2,3,4-tetrol
PubChem CID: 270738
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| Compound Synonyms | pentane-1,2,3,4-tetrol, 1-deoxy-d-ribitol, 1-Deoxy-L-ribose, 13942-77-3, 5-Deoxy-D-ribitol, 3169-92-4, 1-Deoxypentitol, 1-Deoxypentitol #, 5-Deoxy-L-ribitol, 1-Deoxy-d-arabitol, SCHEMBL283805, 1,2,3,4-tetrahydroxy pentane, DTXSID00297054, CHEBI:165244, FJGNTEKSQVNVTJ-UHFFFAOYSA-N, NSC113471, MD00772, NSC-113471, 1,4-Anhydro-L-ribitol, 2, 5- Anhydro-D- ribitol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 9.0 |
| Description | Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-xylitol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 75.4 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentane-1,2,3,4-tetrol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | -1.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Molecular Formula | C5H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJGNTEKSQVNVTJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 1-Deoxy-D-xylitol, 5-Deoxy-L-xylitol, 5-Deoxy-D-ribitol, 5-Deoxy-L-ribitol, 5-Deoxyribitol |
| Compound Name | Pentane-1,2,3,4-tetrol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 136.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.7423886 |
| Inchi | InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3 |
| Smiles | CC(C(C(CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Secondary alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all