Methyl 2,3,4-tri-O-acetyl-6-O-methyl-alpha-D-galactopyranoside
PubChem CID: 22212972
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| Compound Synonyms | HRFADBZDDVTPAQ-HTOAHKCRSA-N, Methyl 2,3,4-tri-O-acetyl-6-O-methylhexopyranoside #, Methyl 2,3,4-tri-O-acetyl-6-O-methyl-.alpha.-D-galactopyranoside |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COC[C@H]O[C@H]OC))[C@@H][C@H][C@H]6OC=O)C))))OC=O)C))))OC=O)C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-2-(methoxymethyl)oxan-3-yl] acetate |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H22O9 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | HRFADBZDDVTPAQ-HTOAHKCRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | methyl-2,3,4-tri-o-acetyl-6-o-methyl-alpha-d-galactopyranoside |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)OC, COC, CO[C@H](C)OC |
| Compound Name | Methyl 2,3,4-tri-O-acetyl-6-O-methyl-alpha-D-galactopyranoside |
| Exact Mass | 334.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 334.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H22O9/c1-7(15)20-11-10(6-18-4)23-14(19-5)13(22-9(3)17)12(11)21-8(2)16/h10-14H,6H2,1-5H3/t10-,11+,12+,13-,14+/m1/s1 |
| Smiles | CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)COC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Micranthus (Plant) Rel Props:Reference:ISBN:9770972795006