2,3,4,5-Tetrahydroxypentanoic acid
PubChem CID: 10264
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| Compound Synonyms | pentonic acid, Arabinoic acid, 2,3,4,5-tetrahydroxypentanoic acid, D-Arabonate, ARABINONIC ACID, D-, 6MB7RT6FS7, D-D-Arabonate, BRN 1724262, L-Arabinonic acid lithium, bmse000166, UNII-6MB7RT6FS7, NCIOpen2_000178, SCHEMBL595388, DTXSID30862017, AAA60853, NS00044028, 4-03-00-01205 (Beilstein Handbook Reference), Q11751625, 2E716807-8A6D-4F87-9367-F672358A801B, 13171-74-9 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5-tetrahydroxypentanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -2.7 |
| Molecular Formula | C5H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXKAIJAYHKCRRA-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -6.547 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.48 |
| Compound Name | 2,3,4,5-Tetrahydroxypentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 166.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1265002 |
| Inchi | InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11) |
| Smiles | C(C(C(C(C(=O)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all