2-Keto-L-gulonic acid
PubChem CID: 102424
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| Compound Synonyms | 2-Keto-L-gulonic acid, 526-98-7, L-xylo-Hex-2-ulosonic acid, L-sorbosonic acid, L-xylo-2-Hexulosonic acid, (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid, L-Xylohexulosonic acid, 2-Oxo-l-gulonic acid, 3-keto-L-Gulonic acid, L-Ketoidonate, 2-dehydro-L-idonic acid, L-Ketoidonic acid, L-sorbosonate, UNII-I49386U15C, 342385-52-8, 2-keto-L-gulonate, EINECS 208-403-5, I49386U15C, Idonic acid, 2-keto-, L-, CHEBI:19543, EC 208-403-5, 2-KETO-L-GULONIC ACID [MI], 2-Keto-L-idonic acid, Gulonic acid, 2-oxo-, L-Xylohexulosonate, L-Xylo-2-Hexulosonic Acid, L-Xylo-Hexulosonic Acid, 2-Keto-L-idonic Acid, 2-Keto-L-gulonic Acid, 2-Keto-L-Gulonic Acid, L-Xylohexulosonic Acid, l-xylo-hexulosonic acid, SCHEMBL149382, Provitamin C, (L-xylo)-isomer, DTXSID901031512, AKOS006282126, MK05356, FX183289, HY-158080, CS-1036554, NS00008030, ASCORBIC ACID IMPURITY C [EP IMPURITY], E72647, EN300-25692370, Q27109187, 6DBA7178-9A91-4E10-8B9E-22EBA19458C8, 2-Oxo-gulonic acid hydrate, L-Xylo-2-hexulosonic acid hydrate, 2-KLG, D-Sorbosonic acid hydrate |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -2.9 |
| Molecular Formula | C6H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBUYCZFBVCCYFD-NUNKFHFFSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.15 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.799 |
| Compound Name | 2-Keto-L-gulonic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 194.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0944382 |
| Inchi | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4-/m0/s1 |
| Smiles | C([C@@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients