alpha-Tyvelopyranose
PubChem CID: 448819
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| Compound Synonyms | alpha-tyvelopyranose, alpha-Tyv, 3,6-dideoxy-alpha-D-arabino-hexopyranose, alpha-D-tyvelopyranose, CHEBI:59988, 3,6-dideoxy-alpha-D-mannpyranose, Epitope ID:139421, (2S,3S,5S,6R)-6-methyloxane-2,3,5-triol, SCHEMBL8718338, DB04028, Q27127010 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3S,5S,6R)-6-methyloxane-2,3,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C6H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYPWIZMAJMNPMJ-VANKVMQKSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.453 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.744 |
| Compound Name | alpha-Tyvelopyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 148.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.05927959999999988 |
| Inchi | InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1 |
| Smiles | C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Actinacantha (Plant) Rel Props:Source_db:cmaup_ingredients