2-O-a-D-Galactopyranosyl-1-deoxynojirimycin
PubChem CID: 5317441
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| Compound Synonyms | 155168-05-1, 2-O-a-D-Galactopyranosyl-1-deoxynojirimycin, Galactosyl-DNJ, DTXSID801260817, MG03577, 2-O-?-D-Galactopyranosyl-1-deoxynojirimycin, 2-O-I+/--D-Galactopyranosyl-1-deoxynojirimycin |
|---|---|
| Topological Polar Surface Area | 172.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2S,3R,4S,5R,6R)-2-[(3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -3.9 |
| Molecular Formula | C12H23NO9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQLSQWAVFSEMIE-QZNPSGCDSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.261 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.69 |
| Compound Name | 2-O-a-D-Galactopyranosyl-1-deoxynojirimycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 325.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8830036000000001 |
| Inchi | InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1 |
| Smiles | C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients