6-O-alpha-D-glucopyranosyl-beta-D-fructofuranose
PubChem CID: 10125936
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| Compound Synonyms | 6-O-alpha-D-glucopyranosyl-beta-D-fructofuranose, T3FVA41C2Z, beta-Palatinose anhydrous, beta-Isomaltulose anhydrous, UNII-T3FVA41C2Z, 15132-06-6, beta-D-Fructofuranose, 6-o-alpha-D-glucopyranosyl-, 58166-27-1, beta-palatinose, SCHEMBL92759, CHEBI:47999, DTXSID001269065, .BETA.-PALATINOSE ANHYDROUS, .BETA.-ISOMALTULOSE ANHYDROUS, 6-O-I+/--D-Glucopyranosyl-I(2)-D-fructofuranose, alpha-D-glucopyranose-(1->6)-beta-D-fructofuranose, Q27120900, .BETA.-D-FRUCTOFURANOSE, 6-O-.ALPHA.-D-GLUCOPYRANOSYL-, 6-O-.ALPHA.-D-GLUCOPYRANOSYL-.BETA.-D-FRUCTOFURANOSE, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(((2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| 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,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.3 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PVXPPJIGRGXGCY-IPFGBZKGSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.265 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.239 |
| Compound Name | 6-O-alpha-D-glucopyranosyl-beta-D-fructofuranose |
| 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 | 1.0452586000000004 |
| Inchi | InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/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)OC[C@@H]2[C@H]([C@@H]([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