Phenyl beta-D-glucopyranoside
PubChem CID: 65080
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| Compound Synonyms | 1464-44-4, Phenyl beta-D-glucopyranoside, Phenyl-beta-D-glucopyranoside, Phenylglucoside, Phenol glucoside, Phenyl beta-D-glucoside, beta-D-Glucopyranoside, phenyl, .beta.-D-Glucopyranoside, phenyl, Aryl beta-D-glucoside, Phenyl-beta-D-glucoside, Phenyl b-D-glucopyranoside, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol, Glucopyranoside, phenyl-, beta-D-, EINECS 215-978-6, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxytetrahydro-2H-pyran-3,4,5-triol, BRN 0087517, 4W3PGI3766, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxy-tetrahydro-2H-pyran-3,4,5-triol, Glucopyranoside, phenyl-, .beta.-D-, DTXSID40883677, PHENYL .BETA.-D-GLUCOSIDE, 5-17-07-00046 (Beilstein Handbook Reference), (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol, PHENYL .BETA.-D-GLUCOPYRANOSIDE, Phenyl ss-D-glucoside, C12H16O6, phenyl, A-d-glucopyranoside, Phenyl hexopyranoside #, 2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol, UNII-4W3PGI3766, phenyl-beta-glucoside, bmse000770, Phenyl-.beta.-D-glucoside, PHENYL ?-D-GLUCOSIDE, Phenyl beta -D-glucopyranoside, CHEBI:8083, SCHEMBL1004929, CHEMBL4105357, Phenyl-.beta.-D-glucopyranoside, BDBM36025, GTPL12455, DTXCID601023182, HMS1614E16, Phenyl beta-D-glucopyranoside, 97%, MFCD00204281, AKOS001669140, CCG-249827, CS-W012565, HY-W011849, MP02707, NCGC00385978-01, AS-59078, NS00045410, P0178, C03097, D82047, Q27107738, 215-978-6 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 255.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C12H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NEZJDVYDSZTRFS-RMPHRYRLSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.757 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.028 |
| Compound Name | Phenyl beta-D-glucopyranoside |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 256.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1687414666666665 |
| Inchi | InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1 |
| Smiles | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients