2,3-di-O-methyl-d-mannose
PubChem CID: 129698394
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| Compound Synonyms | 2,3-di-O-methyl-d-mannose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | [2H]CO[C@@H][C@@H][C@@H]CO))O))O))[C@H]OC[2H])))C=O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 162.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3S,4R,5R)-2,3-bis(deuteriomethoxy)-4,5,6-trihydroxyhexanal |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O6 |
| Inchi Key | CPALRJNELRTQTO-LMGRHVLHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2,3-di-o-methyl-d-mannose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO, COC |
| Compound Name | 2,3-di-O-methyl-d-mannose |
| Exact Mass | 210.107 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.107 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 210.22 |
| 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/C8H16O6/c1-13-6(4-10)8(14-2)7(12)5(11)3-9/h4-9,11-12H,3H2,1-2H3/t5-,6-,7-,8-/m1/s1/i1D,2D |
| Smiles | [2H]CO[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)OC[2H] |
| 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