6-Deoxy-beta-d-gulopyranose
PubChem CID: 7567127
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| Compound Synonyms | 6-deoxy-beta-d-gulopyranose, 6-deoxy-b-Gul, CHEBI:145639, (2R,3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol, WURCS=2.0/1,1,0/[a2212m-1b_1-5]/1/ |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.1 |
| Is Pains | False |
| Molecular Formula | C6H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHZGCJCMOBCMKK-AIECOIEWSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 6-Deoxy-beta-d-gulopyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.45892659999999985 |
| Inchi | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4-,5-,6-/m1/s1 |
| Smiles | C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O |
| 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 Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients