beta-D-Cymarose pyranose
PubChem CID: 441417
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| Compound Synonyms | beta-D-Cymarose pyranose, beta-Cymaropyranose, 74VS19SL1M, UNII-74VS19SL1M, 89253-99-6, 2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranose, beta-D-Ribo-hexopyranose, 2,6-dideoxy-3-O-methyl-, AC1L9B4J, CTK5A7612, SureCN182615, SCHEMBL182615, (2R,4S,5R,6R)-4-methoxy-6-methyloxane-2,5-diol, DTXSID30973490, DBDJCJKVEBFXHG-XZBKPIIZSA-N, .BETA.-D-CYMAROSE PYRANOSE, 2,6-dideoxy-3-o-methylhexopyranose, AG-G-04688, C08234, 2,6-DIDEOXY-3-O-METHYL-.BETA.-D-RIBO-HEXOPYRANOSE, (2R,4S,5R,6R)-4-methoxy-6-methyl-tetrahydropyran-2,5-diol, .BETA.-D-RIBO-HEXOPYRANOSE, 2,6-DIDEOXY-3-O-METHYL- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CO[C@H]C[C@H]O)O[C@@H][C@H]6O))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,4S,5R,6R)-4-methoxy-6-methyloxane-2,5-diol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O4 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | DBDJCJKVEBFXHG-XZBKPIIZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cymarose |
| Esol Class | Very soluble |
| Functional Groups | CO, COC, C[C@H](O)OC |
| Compound Name | beta-D-Cymarose pyranose |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 162.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)OC)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Caralluma Tuberculata (Plant) Rel Props:Reference:ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Marsdenia Tenacissima (Plant) Rel Props:Reference:ISBN:9788185042114