alpha-L-Fucopyranose 1,2:3,4-bis(benzeneboronate)
PubChem CID: 589742
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| Compound Synonyms | .alpha.-L-Fucopyranose 1,2:3,4-bis(benzeneboronate), VTOWUOQFKDTRKI-UHFFFAOYSA-N, 5-Methyl-2,7-diphenyltetrahydro-3ah-di[1,3,2]dioxaborolo[4,5-b:4,5-d]pyran # |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methyl-4,11-diphenyl-3,5,7,10,12-pentaoxa-4,11-diboratricyclo[7.3.0.02,6]dodecane |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H18B2O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VTOWUOQFKDTRKI-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.49 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.223 |
| Compound Name | alpha-L-Fucopyranose 1,2:3,4-bis(benzeneboronate) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 336.134 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.134 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H18B2O5/c1-12-15-16(23-19(22-15)13-8-4-2-5-9-13)17-18(21-12)25-20(24-17)14-10-6-3-7-11-14/h2-12,15-18H,1H3 |
| Smiles | B1(OC2C(OC3C(C2O1)OB(O3)C4=CC=CC=C4)C)C5=CC=CC=C5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients