2,3,6-Tri-O-methyl-D-mannose
PubChem CID: 54211230
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| Compound Synonyms | 2,3,6-Tri-O-methyl-D-mannose, 92OK4MZ27H, D-Mannose, 2,3,6-tri-O-methyl-, UNII-92OK4MZ27H, Mannose, 2,3,6-tri-O-methyl-, D-, 5856-21-3, 2,3,6-tri-o-methylmannose, SCHEMBL1004823, Q27271518 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | COC[C@H][C@H][C@@H][C@@H]C=O))OC)))OC)))O))O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3S,4R,5R)-4,5-dihydroxy-2,3,6-trimethoxyhexanal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O6 |
| Inchi Key | PWBXSZOZBWBLEW-FNCVBFRFSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2,3,6-tri-o-methyl-d-mannose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO, COC |
| Compound Name | 2,3,6-Tri-O-methyl-D-mannose |
| Exact Mass | 222.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 222.24 |
| 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/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7-,8-,9-/m1/s1 |
| Smiles | COC[C@H]([C@H]([C@@H]([C@@H](C=O)OC)OC)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Senna Surattensis (Plant) Rel Props:Reference:ISBN:9788172362089