Leucrose
PubChem CID: 165577
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| Compound Synonyms | Leucrose, YAC4299ISI, UNII-YAC4299ISI, 5-O-alpha-D-glucopyranosyl-D-fructose, D-Fructose, 5-O-alpha-D-glucopyranosyl-, D-Glucopyranosyl-alpha(1-5)-D-fructopyranose, 5-O-.ALPHA.-D-GLUCOPYRANOSYL-D-FRUCTOSE, (3S,4S,5R)-1,3,4,6-tetrahydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one, D-FRUCTOSE, 5-O-.ALPHA.-D-GLUCOPYRANOSYL-, (3S,4S,5R)-1,3,4,6-tetrahydroxy-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexan-2-one, (3S,4S,5R)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3,4,6-tetrakis(oxidanyl)hexan-2-one, (3S,4S,5R)-1,3,4,6-tetrahydroxy-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhexan-2-one, (3S,4S,5R)-5-((2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl)oxy-1,3,4,6-tetrakis(oxidanyl)hexan-2-one, 5-O-Hexopyranosylhex-2-ulose, SCHEMBL3832014, DTXSID40992132, DXALOGXSFLZLLN-WTZPKTTFSA-N, AKOS040752512, HY-123115, F81529, Q3237106, 4B42CA92-416A-4C2C-BAAA-D31AD7F77B1F, (3S,4S,5R)-1,3,4,6-tetrahydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexan-2-one, 470-16-6 |
|---|---|
| Topological Polar Surface Area | 197.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3S,4S,5R)-1,3,4,6-tetrahydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | -4.8 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DXALOGXSFLZLLN-WTZPKTTFSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | 0.35 |
| Rotatable Bond Count | 8.0 |
| Logd | -3.174 |
| Compound Name | Leucrose |
| 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 | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6149586 |
| Inchi | InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h5-15,17-21H,1-3H2/t5-,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](CO)[C@H]([C@@H](C(=O)CO)O)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients