Orthonitrophenyl-beta-D-fucopyranoside
PubChem CID: 150889
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| Compound Synonyms | 1154-94-5, onpf, ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE, 2-Nitrophenyl beta-D-fucopyranoside, ONP-b-D-Fuc, beta-D-Galactopyranoside, 2-nitrophenyl 6-deoxy-, 2-Nitrophenyl b-D-fucopyranoside, (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol, o-NITROPHENYL beta-D-FUCOPYRANOSIDE, 2-nitrophenyl beta-D-fucoside, (2R,3R,4S,5R,6S)-2-Methyl-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol, 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside, 12624-08-7, 2-Nitrophenyl-beta-fucoside, 2-nitrophenyl 6-deoxyhexopyranoside, SCHEMBL2544558, CHEBI:44419, DTXSID80921729, 2-Nitrophenyl, A-D-fucopyranoside, MFCD00057511, AKOS015918200, DB08297, EN03289, HY-W604882, AS-85275, Orthonitrophenyl-, A-D-fucopyranoside, 98%, NS00070157, Q2928817, 2-Nitrophenyl 6-Deoxy-ss-D-galactopyranoside, ONPF, o-Nitrophenyl ss-D-Fucopyranoside, o-Nitrophenyl ss-D-Fucoside, o-Nitrophenyl 6-Deoxy-ss-D-galactopyranoside |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 125.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Deep Smiles | O[C@H][C@@H]O[C@@H][C@@H][C@@H]6O))O))C)))Occcccc6[N+]=O)[O-] |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(OC2CCCCO2)CC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H15NO7 |
| Scaffold Graph Node Bond Level | c1ccc(OC2CCCCO2)cc1 |
| Inchi Key | SWRPIVXPHLYETN-BVWHHUJWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | npf |
| Esol Class | Very soluble |
| Functional Groups | CO, cO[C@@H](C)OC, c[N+](=O)[O-] |
| Compound Name | Orthonitrophenyl-beta-D-fucopyranoside |
| Exact Mass | 285.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.085 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 285.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1 |
| Smiles | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Sinopodophyllum Hexandrum (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075