Trehalose, dihydrate (Salt/Mix)
PubChem CID: 91696341
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| Compound Synonyms | .alpha.-Trehalose, .alpha.-D-Trehalose, .alpha.,.alpha.-Trehalose, .alpha.-d-Glucopyranosyl-.alpha.-d-glucopyranoside, .alpha.,.alpha.'-D-Trehalose, SCHEMBL25304700, Trehalose, dihydrate (Salt/Mix), HDTRYLNUVZCQOY-SBAFDXSCSA-N |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.2 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDTRYLNUVZCQOY-SBAFDXSCSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.057 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.795 |
| Compound Name | Trehalose, dihydrate (Salt/Mix) |
| 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 | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9351586000000001 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4?,5-,6?,7+,8?,9-,10?,11-,12?/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all