alpha-D-Xylofuranoside, methyl 2,3-di-O-methyl-
PubChem CID: 12775311
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| Compound Synonyms | 15821-56-4, Methyl 2-O,3-O-dimethyl-alpha-D-xylofuranoside, [(2R,3S,4R,5S)-3,4,5-trimethoxyoxolan-2-yl]methanol, .alpha.-D-Xylofuranoside, methyl 2,3-di-O-methyl-, Xylofuranoside, methyl 2,3-di-O-methyl-, .alpha.-D-, FYKMACNFDGQAMI-CWKFCGSDSA-N, Methyl 2,3-di-O-methylpentofuranoside # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | OC[C@H]O[C@@H][C@@H][C@H]5OC)))OC)))OC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(2R,3S,4R,5S)-3,4,5-trimethoxyoxolan-2-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O5 |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | FYKMACNFDGQAMI-CWKFCGSDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | methyl-2-o-methyl-α-d-xylofuranoside |
| Esol Class | Very soluble |
| Functional Groups | CO, COC, CO[C@H](C)OC |
| Compound Name | alpha-D-Xylofuranoside, methyl 2,3-di-O-methyl- |
| Exact Mass | 192.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 192.21 |
| 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/C8H16O5/c1-10-6-5(4-9)13-8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1 |
| Smiles | CO[C@H]1[C@H](O[C@@H]([C@@H]1OC)OC)CO |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222