alpha-D-altro-Heptopyranose, 6-deoxy-
PubChem CID: 131133849
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| Compound Synonyms | X926RA834U, alpha-D-altro-Heptopyranose, 6-deoxy-, 335250-99-2 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4R,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | -2.8 |
| Molecular Formula | C7H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZVQUXRVCGLPJK-OVHBTUCOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.123 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.964 |
| Compound Name | alpha-D-altro-Heptopyranose, 6-deoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8394653999999998 |
| Inchi | InChI=1S/C7H14O6/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-12H,1-2H2/t3-,4-,5-,6+,7+/m1/s1 |
| Smiles | C(CO)[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Hupehensis (Plant) Rel Props:Source_db:cmaup_ingredients