D-Tagatose
PubChem CID: 439312
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | D-Tagatose, D-tagatopyranose, Tagatose, tagatopyranose, Tagatopyranoside, D-Tagatopyranoside, D-Tag, D-Lyxo-Hex-2-ulo-Pyranose, TAG, lyxo-Hexulose, 41847-61-4, (3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol, CHEBI:4249, D-lyxo-hex-2-ulose, DTXCID3027873, DTXSID3047897, d-tagatos, NCGC00164599-01, bmse000023, bmse000865, bmse000883, SCHEMBL152959, CHEBI:16443, AKOS040758619, C00795, Q27106317 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -2.8 |
| Molecular Formula | C6H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKDRXBCSQODPBY-OEXCPVAWSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.08 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.884 |
| Compound Name | D-Tagatose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8982327999999999 |
| Inchi | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@@H](C(O1)(CO)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