2-(Difluoromethyl)-6-(Dihydroxyboranyl)-L-Norleucine
PubChem CID: 53249971
Connections displayed (default: 10).
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| Compound Synonyms | 2-(Difluoromethyl)-6-(Dihydroxyboranyl)-L-Norleucine, Q27460212, FB5 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-6-borono-2-(difluoromethyl)hexanoic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C7H14BF2NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QIYCLWKKKPVZJC-SSDOTTSWSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.414 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.895 |
| Compound Name | 2-(Difluoromethyl)-6-(Dihydroxyboranyl)-L-Norleucine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.098 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.098 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 225.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)/t7-/m1/s1 |
| Smiles | B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Larrea Tridentata (Plant) Rel Props:Source_db:cmaup_ingredients