2-Amino-3,4,6-trihydroxyhexanal
PubChem CID: 3572008
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| Compound Synonyms | D-Lyxosylamine, 39840-37-4, 2-Amino-2,5-dideoxyhexose, DTXSID90960402 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3,4,6-trihydroxyhexanal |
| Prediction Hob | 1.0 |
| Xlogp | -2.7 |
| Molecular Formula | C6H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEDHRDQRQUAZDW-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.094 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.077 |
| Compound Name | 2-Amino-3,4,6-trihydroxyhexanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 163.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1856274 |
| Inchi | InChI=1S/C6H13NO4/c7-4(3-9)6(11)5(10)1-2-8/h3-6,8,10-11H,1-2,7H2 |
| Smiles | C(CO)C(C(C(C=O)N)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients