(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2H-1,3,5-triazin-1-yloxy)oxane-3,4,5-triol
PubChem CID: 54510161
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| Compound Synonyms | SCHEMBL529939 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2H-1,3,5-triazin-1-yloxy)oxane-3,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.7 |
| Is Pains | False |
| Molecular Formula | C9H15N3O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YINQDXQRMMKPJN-LOFWALOHSA-N |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2H-1,3,5-triazin-1-yloxy)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 261.096 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 261.096 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 261.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.43934920000000016 |
| Inchi | InChI=1S/C9H15N3O6/c13-1-5-6(14)7(15)8(16)9(17-5)18-12-3-10-2-11-4-12/h2-3,5-9,13-16H,1,4H2/t5-,6-,7+,8-,9?/m1/s1 |
| Smiles | C1N=CN=CN1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients