Palatinose
PubChem CID: 439559
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| Compound Synonyms | Palatinose, Isomaltulose, 6-O-alpha-D-Glucopyranosyl-D-fructofuranose, Isomaltulose hydrate, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol, CHEBI:18394, Palatinose hydrate, 58166-27-1, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl)methoxy)oxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl)methoxy)oxane-3,4,5-triol, SCHEMBL118910, MFCD00076094, STL565150, AKOS037623354, OI04225, PD124262, P1234, C01742, 6-O-(a-D-Glucopyranosyl)-D-fructose (monohydrate), Q27103048, (2R,3S,4S,5R,6S)-2-methylol-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methoxy]tetrahydropyran-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 | 8.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-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-TZLCEDOOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.196 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.443 |
| Compound Name | Palatinose |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Saccharum Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients