3,6-Anhydro-alpha-d-galactopyranose
PubChem CID: 13037720
Connections displayed (default: 10).
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| Compound Synonyms | 3,6-anhydro-alpha-D-galactose, 3,6-anhydro-alpha-d-galactopyranose, 9RN, SCHEMBL872118, DCQFFOLNJVGHLW-RDQKPOQOSA-N, Q27254510 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,3S,4R,5S,8S)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol |
| Prediction Hob | 1.0 |
| Xlogp | -2.1 |
| Molecular Formula | C6H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCQFFOLNJVGHLW-RDQKPOQOSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.406 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.167 |
| Compound Name | 3,6-Anhydro-alpha-d-galactopyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5092258000000001 |
| Inchi | InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1 |
| Smiles | C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mosla Punctata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients