2-deoxy-D-ribitol
PubChem CID: 249377
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| Compound Synonyms | 2-deoxy-D-ribitol, pentane-1,2,3,5-tetrol, 2-deoxypentitol, 13942-76-2, 2-deoxy-xylulose, NSC67660, SCHEMBL346604, DTXSID30930467, CHEBI:166493, NSC-67660 |
|---|---|
| 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). 2-Deoxy-D-ribitol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentane-1,2,3,5-tetrol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.0 |
| Is Pains | False |
| Molecular Formula | C5H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDAWZDFBPUUDAY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-Deoxy-D-ribitol |
| Compound Name | 2-deoxy-D-ribitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 136.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 136.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8524885999999999 |
| Inchi | InChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2 |
| Smiles | C(CO)C(C(CO)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients