(2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol
PubChem CID: 56947165
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL16930344 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C6H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZRJRIPXNVGOHZ-HSUXUTPPSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.028 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.677 |
| Compound Name | (2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.09887419999999986 |
| Inchi | InChI=1S/C6H10O5/c7-1-3-5(9)6(10)4(2-8)11-3/h1,4-10H,2H2/t4-,5-,6-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H](C(=CO)O1)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Fritillaria Ebeiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients