Methyl beta-D-glucopyranoside
PubChem CID: 445238
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| Compound Synonyms | Methyl beta-D-glucopyranoside, Methyl beta-D-glucoside, 709-50-2, beta-Methylglucoside, O1-Methyl-Glucose, beta-Methyl-D-glucoside, Methyl-beta-D-glucopyranoside, Methyl hexopyranoside, 1-O-Methyl-beta-D-glucopyranoside, Methyl b-D-glucopyranoside, CHEBI:320055, beta-d-Methylglucopyranoside, beta-D-Glucopyranoside, methyl, O1-Methyl-Mannose, Methyl, A-D-glucopyranoside, Methyl b-D-glucoside, methyl-beta-D-glucose, (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol, EINECS 211-909-9, Glucopyranoside, methyl, .beta.-D-, MFCD00006602, Methyl .beta.-D-glucoside, NSC 403457, METHYL-BETA-GALACTOSE, .beta.-Methyl-(d)-glucoside, Methyl beta -D-glucopyranoside, Methyl mannoside, CHEMBL132186, Methyl .beta.-D-glucopyranoside, 1-O-methyl-beta-D-glucopyranose, 7000-27-3, DTXSID20883559, 1-O-METHYL-ALPHA-D-MANNOSE, methyl-beta-D-glucopyranoside hemihydrate, METHYL-beta-D-GALACTO-PYRANOSIDE, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol, methyl glucose, MGL, alphaMG, 2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol, alpha-Methylmannose, beta-Methylmannoside, alpha-Methylmannoside, D-Glucoside, methyl, .beta.-Methylglucoside, alpha-methyl-D-mannose, Beta-Methyl-D-Galactoside, Methyl ?-D-Glucopyranoside, ALPHA-METHYL GLUCOSIDE, .alpha.-Methyl D-glucose ether, Methylmannoside, alpha-D-isomer, Methyl mannoside, (alpha-D)-isomer, 1-O-Methyl-.beta.-D-glucopyranoside, b-Methylglucoside, NSC-102101, NSC-214092, alpha-methylglucose, 1-O-METHYL-.ALPHA.-D-GLUCOSIDE, METHYL .ALPHA.-D-(+)-GLUCOSIDE, Me-ss-Glc, methyl -d-glucoside, beta -methylglucoside, b-methyl-D-glucoside, 1-O-METHYL-.ALPHA.-D-GLUCOPYRANOSIDE, Methyl I2-D-glucoside, b-D-Methylglucopyranoside, methyl -d-glucopyranoside, Methyl beta -D-glucoside, Methyl beta-d-glucopyranoside hemihydrate, alpha-Methyl-D -mannoside, b-D-Glucopyranoside,methyl, beta-Methyl-(d)-glucoside, Epitope ID:149560, methyl-alpha-glucopyranoside, A-D-Glucopyranoside, methyl, Methyl I2-D-glucopyranoside, beta -D-methylglucopyranoside, SCHEMBL166332, .beta.-d-Methylglucopyranoside, beta -D-glucopyranoside, methyl, methyl beta-(D)-glucopyranoside, Methyl beta-D-glucoside hydrate, Methyl-alpha-D -glucopyranoside, 1-O-Methyl-b-D-glucopyranoside, methylglucoside, (beta-D)-isomer, 1-O-Methyl-I2-D-glucopyranoside, Glucopyranoside, methyl, beta-D-, DTXCID701023080, methylglucoside, (alpha-D)-isomer, beta-Methyl-D-glucoside hemihydrate, Glucopyranoside, methyl, beta -d-, 25360-07-0, 1-O-Methyl-beta -D-glucopyranoside, AC8107, BDBM50454778, AKOS006343694, METHYL ALPHA-D-(+)-GLUCOSIDE, DB01642, MM03162, AC-33221, BS-49218, HY-116284, CS-0064651, M0709, NS00069875, Methyl beta-D-glucopyranoside, >=99% (HPLC and GC), Q27092822, (2R*,3S*,4S*,5R*,6R*)-2-Hydroxymethyl-6-methoxy-tetrahydro-pyran-3,4,5-triol, Methyl-beta-D-glucopyranoside hemihydrate, >=99.0% (sum of enantiomers, HPLC), O1-METHYL-GLUCOSE, methyl beta-D-glucoside, methyl D-glucoside, methyl glucoside, 202-571-3, 211-909-9 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P11226, P11216, P24173, Q9NYV7 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Target Id | NPT2824 |
| Xlogp | -2.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C7H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HOVAGTYPODGVJG-XUUWZHRGSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.081 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -1.998 |
| Synonyms | 1-O-Methyl-beta-D-glucopyranoside, beta-D-Methylglucopyranoside, Beta-Methyl-D-glucoside, beta-Methylglucoside, Methyl beta-D-glucoside, Methyl hexopyranoside, 1-O-Methyl-b-D-glucopyranoside, 1-O-Methyl-β-D-glucopyranoside, b-D-Methylglucopyranoside, Β-D-methylglucopyranoside, b-Methyl-D-glucoside, Β-methyl-D-glucoside, b-Methylglucoside, Β-methylglucoside, Methyl b-D-glucoside, Methyl β-D-glucoside, Methyl b-D-glucopyranoside, Methyl β-D-glucopyranoside, Methyl D-glucopyranoside, Methyl D-glucoside, Methylglucoside, Methylglucoside, (beta-D)-isomer, 1-O-Methylglucose, D-Glucoside, methyl, Methyl glucose, Methyl-D-glucoside |
| Compound Name | Methyl beta-D-glucopyranoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.7575653999999997 |
| Inchi | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 |
| Smiles | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Platycodon Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all