All(a1-3)a-L-Psif
PubChem CID: 23304723
Connections displayed (default: 10).
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| Topological Polar Surface Area | 190.0 |
|---|---|
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2R,3R,4R,5S,6R)-2-[(2R,3S,4S,5S)-2,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.4 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRQXUCVJDCRJDB-CDAJPVIBSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.549 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.588 |
| Compound Name | All(a1-3)a-L-Psif |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1586586000000003 |
| Inchi | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5+,6-,7+,8-,9-,10+,11-,12-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@@H](O[C@@]2(CO)O)CO)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients