(2S,3R,4S,5S,6R)-2-[2-[(1R)-1-hydroxyethyl]-3-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 10979937
Connections displayed (default: 10).
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| Topological Polar Surface Area | 120.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[2-[(1R)-1-hydroxyethyl]-3-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C15H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DZPBFYBMFYHZSM-FBAQFCGOSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.398 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.446 |
| Compound Name | (2S,3R,4S,5S,6R)-2-[2-[(1R)-1-hydroxyethyl]-3-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 314.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.323488981818182 |
| Inchi | InChI=1S/C15H22O7/c1-7-4-3-5-9(11(7)8(2)17)21-15-14(20)13(19)12(18)10(6-16)22-15/h3-5,8,10,12-20H,6H2,1-2H3/t8-,10-,12-,13+,14-,15-/m1/s1 |
| Smiles | CC1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients