CID 4134252
PubChem CID: 4134252
Connections displayed (default: 10).
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| Compound Synonyms | 2,3,4,5,6-pentahydroxyhexanoate, GTPL4519, Q27077817 |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5,6-pentahydroxyhexanoate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -2.7 |
| Is Pains | False |
| Molecular Formula | C6H11O7- |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGHNJXZEOKUKBD-UHFFFAOYSA-M |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 4.0 |
| Compound Name | CID 4134252 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 195.05 |
| Formal Charge | -1.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 195.05 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 195.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8424886 |
| Inchi | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1 |
| Smiles | C(C(C(C(C(C(=O)[O-])O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brassica Nigra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients