1,3,4,5-Tetrahydroxypentan-2-one
PubChem CID: 619
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| Compound Synonyms | 551-84-8, Threo-2-pentulose (9CI), 7558-89-6, D-[1-13C]threo-pent-2-ulose, 1,3,4,5-tetrahydroxypentan-2-one, 2-pentulose, rel-Xylulose, pentulose, threo-Pentulose, pent-2-ulose, SCHEMBL299290, D-threo-2-Pentulose (9CI), CHEMBL281818, D-threo-Pentulose (7CI,8CI), DTXSID50862019, AKOS025243547, SB45318, SB46274, SB47902, DB-052181, DB-052694, NS00099515, B1CE3B7F-7703-49F7-ACFC-8E1B3CF36EA2 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Description | Ribulose is a ketopentose - a monosaccharide containing five carbon atoms, and including a ketone functional group. D-ribulose is an intermediate in the fungal pathway for D-arabitol production. As the 1,5-bisphosphate, it combines with CO2 at the start of the photosynthetic process in green plants (carbon dioxide trap), d-ribulose is the epimer of d-xylulose. D-Ribulose is found in red beetroot. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 113.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,4,5-tetrahydroxypentan-2-one |
| Nih Violation | False |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.6 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Monosaccharides |
| Molecular Formula | C5H10O5 |
| Inchi Key | ZAQJHHRNXZUBTE-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | D-adonose, D-arabinoketose, D-arabinulose, D-araboketose, D-erythro-2-Keptopentose, d-erythro-2-pentulose, D-erythro-Pent-2-ulose, D-erythro-pentulose, D-erythropentulose, D-riboketose, D-ribosone, D-Ribulose, D-Rul, D(-)-ribulose |
| Substituent Name | Monosaccharide, Beta-hydroxy ketone, Beta-ketoaldehyde, Acyloin, Alpha-hydroxy ketone, Secondary alcohol, Polyol, Ketone, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | 1,3,4,5-Tetrahydroxypentan-2-one |
| Kingdom | Organic compounds |
| Exact Mass | 150.053 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 150.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 150.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2 |
| Smiles | C(C(C(C(=O)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all