D-Talose
PubChem CID: 441035
Connections displayed (default: 10).
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| Compound Synonyms | d-talopyranose, D-Talose, talopyranose, talopyranoside, D-Talopyranoside, D-Tal, TAL, Talose, D-Talo-hexose, CHEBI:68462, (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol, SCHEMBL79720, CHEMBL1519430, CHEBI:28458, WQZGKKKJIJFFOK-WHZQZERISA-N, BDBM656171, NCGC00166303-01, US20240072809, Compound A284, D-(+)-Talose, >=99.0% (HPLC), T0869, C06467, Q27136956, WURCS=2.0/1,1,0/(a1112h-1x_1-5)/1/, 219-996-5 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | Q03164, Q9NUW8 |
| Iupac Name | (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 1.0 |
| Target Id | NPT50 |
| Xlogp | -2.6 |
| Molecular Formula | C6H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQZGKKKJIJFFOK-WHZQZERISA-N |
| Fcsp3 | 1.0 |
| Logs | -0.046 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.345 |
| Compound Name | D-Talose |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1502328000000006 |
| Inchi | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6?/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@@H](C(O1)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Hippophae Fructus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Auricularis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Pogostemon Auricularius (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Benghalense (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Pogostemon Benghalensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Pogostemon Heyneanus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Pogostemon Paniculatus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
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FOUND_INto/from Pogostemon Patchouli (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Pogostemon Plectranthoides (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Pogostemon Pubescens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Pogostemon Purpurascens (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Pogostemon Rugosus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Pogostemon Stellatus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Pogostemon Vestitus (Plant) Rel Props:Reference: