Saccharide Hydrolysate
PubChem CID: 21924868
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| Compound Synonyms | 8013-17-0, Invertose, Invertose ,, INVERT SUGAR, Saccharide hydrolysate, 2,3,4,5,6-pentahydroxyhexanal, 1,3,4,5,6-pentahydroxyhexan-2-one, HS 500, sugar invert, Sugar,invert, SCHEMBL20361633, PJVXUVWGSCCGHT-UHFFFAOYSA-N, AS-88103 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 236.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OCCCCC=O)CO)))O))O))O.OCCCCCC=O))O))O))O))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Inverted or invert sugar syrup is a mixture of glucose and fructose, it is obtained by splitting sucrose into these two components. Compared with its precursor, sucrose, inverted sugar is sweeter and its products tend to remain more moist and are less prone to crystallisation. Inverted sugar is therefore valued by bakers, who refer to the syrup as trimoline or invert syrup. Invert sugar is found in fig and black elderberry. |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5,6-pentahydroxyhexanal, 1,3,4,5,6-pentahydroxyhexan-2-one |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJVXUVWGSCCGHT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 10.0 |
| Synonyms | Calorose, Insubeta, Inverdex, Invertix, Invertogen, Invertose, Lumolinine, Metabol, Nevuline, Nulomoline, Sugar, invert, Travert, Trimolin, Invert sugar, invert sugar |
| Esol Class | Highly soluble |
| Functional Groups | CC(C)=O, CC=O, CO |
| Compound Name | Saccharide Hydrolysate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.127 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 360.31 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | 2.7944655999999997 |
| Inchi | InChI=1S/2C6H12O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2, 1,3-6,8-12H,2H2 |
| Smiles | C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(=O)CO)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Hexoses |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:ISBN:9780387706375 - 3. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all