D-Fructosazone
PubChem CID: 91618094
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| Compound Synonyms | Glucosazone, D-Fructosazone, Mannose, phenylosazone, Dextrosazone, D-Mannosazone, DL-Fructose phenylosazone, Fructose phenylosazone, DL-, D-Arabino-hexosulose bis(phenylhydrazone), DL-Fructose phenylosazone [MI], D-Mannose phenylosazone, D-Fructose phenylosazone, 01KM283D85, D-Glucosazone, 725V6DIS8A, UNII-01KM283D85, Arabino-hexos-2-ulose, 1,2-bis(2-phenylhydrazone), Glucose phenylosazone, D-Glucose phenylosazone, 534-97-4, 4746-10-5, D-arabino-Hexos-2-ulose, bis(phenylhydrazone), D-arabino-Hexos-2-ulose, 1,2-bis(2-phenylhydrazone), NSC 2027, NSC-2027, NSC-121358, D-Arabino-Hexosulose, bis(phenylhydrazone), UNII-725V6DIS8A, GLUCOSE PHENYLOSAZONE, D-, FRUCTOSE PHENYLOSAZONE, D-, EINECS 208-607-4, D-ARABINO-HEXULOSE PHENYLOSAZONE, NSC 121358 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C(CCCC1CCCCC1)CCC1CCCCC1 |
| Deep Smiles | OC[C@H][C@H][C@@H]C=NNcccccc6))))))))/C=N/Ncccccc6))))))))))O))O))O |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(NNCCNNC2CCCCC2)CC1 |
| Classyfire Subclass | Phenylhydrazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3S,4R,6E)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H22N4O4 |
| Scaffold Graph Node Bond Level | C(C=NNc1ccccc1)=NNc1ccccc1 |
| Inchi Key | BZVNQJMWJJOFFB-UGSZPUKBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | glucosazon |
| Esol Class | Soluble |
| Functional Groups | CO, cNN=C(C)/C=N/Nc |
| Compound Name | D-Fructosazone |
| Exact Mass | 358.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.164 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 358.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2/b19-11+,22-15?/t16-,17-,18-/m1/s1 |
| Smiles | C1=CC=C(C=C1)N/N=C/C(=NNC2=CC=CC=C2)[C@H]([C@@H]([C@@H](CO)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279