alpha-D-mannuronate
PubChem CID: 25202643
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| Compound Synonyms | alpha-D-mannuronate, alpha-D-mannopyranuronate, CHEBI:157625 |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Molecular Formula | C6H9O7- |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEMOLEFTQBMNLQ-BYHBOUFCSA-M |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.108 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.471 |
| Compound Name | alpha-D-mannuronate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 193.035 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 193.035 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 193.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.051612200000000164 |
| Inchi | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3-,4-,6-/m0/s1 |
| Smiles | [C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)[O-])O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients