This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

D-Cymarose

PubChem CID: 5461156

Connections displayed (default: 10).
Loading graph...

Compound Synonyms D-Cymarose, Cymarose, Cymarose, D-, 579-04-4, UNII-K3K57WUC8T, K3K57WUC8T, 13089-76-4, D-Ribo-Hexose, 2,6-dideoxy-3-O-methyl-, (3S,4R,5R)-4,5-dihydroxy-3-methoxyhexanal, T65F4U7ZF2, 2,6-Dideoxy-3-O-methyl-ribo-hexose, 2,6-dideoxy-3-O-methyl-D-ribo-hexose, 3-methyldigitoxose, CYMAROSE [MI], CYMAROSE, DL-, UNII-T65F4U7ZF2, SCHEMBL182616, CYMAROSE, (+/-)-, CHEBI:10366, DTXSID90156782, ribo-Hexose, 2,6-dideoxy-3-O-methyl-, Q27108628
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Deep Smiles CO[C@H][C@@H][C@H]O)C))O))CC=O
Heavy Atom Count 11.0
Classyfire Class Organooxygen compounds
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 115.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (3S,4R,5R)-4,5-dihydroxy-3-methoxyhexanal
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp -1.3
Gsk 4 400 Rule True
Molecular Formula C7H14O4
Prediction Swissadme 0.0
Inchi Key GOYBREOSJSERKM-DSYKOEDSSA-N
Silicos It Class Soluble
Fcsp3 0.8571428571428571
Rotatable Bond Count 5.0
Synonyms d-cymarose
Esol Class Highly soluble
Functional Groups CC=O, CO, COC
Compound Name D-Cymarose
Prediction Hob Swissadme 0.0
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 3.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol 0.29715300000000006
Inchi InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7-/m1/s1
Smiles C[C@H]([C@H]([C@H](CC=O)OC)O)O
Np Classifier Biosynthetic Pathway Carbohydrates
Defined Bond Stereocenter Count 0.0
Egan Rule True