D-Allose
PubChem CID: 439507
Connections displayed (default: 10).
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| Compound Synonyms | D-allose, D-Allopyranose, allose, allopyranose, allopyranoside, D-Allopyranoside, D-All, ALL, CHEBI:4093, Allose, D-, allo-hexose, D-aAllopyranose, D-allo-hexose, NSC-144657, 579-36-2, bmse000008, bmse000808, bmse001008, SCHEMBL60362, CHEMBL1222152, CHEBI:17393, CHEBI:37690, CHEBI:37742, DTXCID501474033, DTXSID201015878, AKOS006272674, DB03989, C01487, Q27106301, 219-994-4 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | WQZGKKKJIJFFOK-IVMDWMLBSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | D-Allose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.063 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 180.16 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | 1.1502328000000006 |
| Inchi | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O |
| Xlogp | -2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H12O6 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinopodophyllum Hexandrum (Plant) Rel Props:Source_db:cmaup_ingredients