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2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol

PubChem CID: 4984739

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Compound Synonyms 15548-45-5, Benzyl alpha-D-mannopyranoside, 2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol, DTXSID40407251, (2S,3R,4S,5S,6R)-2-(Benzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, BENZYL-alpha-D-MANNOPYRANOSIDE, (2S,3S,4S,5S,6R)-2-(Benzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 34246-23-6, Benzyl b-D-glucopyranoside, benzyl beta-d-galactopyranoside, CHEMBL1170453, Benzyl EC-D-glucopyranoside, Oprea1_430464, (3R,4S,5S,6R)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol, SCHEMBL9155988, (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol, SCHEMBL19479665, DTXCID90358103, (2R,3R,4S,5S,6R)-2-(BENZYLOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL, GKHCBYYBLTXYEV-UHFFFAOYSA-N, BDBM50347463, AKOS030212731, SB46417, SB48499, SY066828, DB-063785, (2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
Topological Polar Surface Area 99.4
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 268.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
Prediction Hob 1.0
Class Organooxygen compounds
Xlogp -0.7
Superclass Organic oxygen compounds
Subclass Carbohydrates and carbohydrate conjugates
Molecular Formula C13H18O6
Prediction Swissadme 0.0
Inchi Key GKHCBYYBLTXYEV-UHFFFAOYSA-N
Fcsp3 0.5384615384615384
Rotatable Bond Count 4.0
Synonyms Benzyl-beta-D-glucoside, Benzyl D-glucopyranoside, Benzyl glucopyranoside, Benzylglucopyranoside, BENZYL a-D-glucopyranoside, BENZYL α-D-glucopyranoside
Compound Name 2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 270.11
Formal Charge 0.0
Monoisotopic Mass 270.11
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 270.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Esol -1.0444264105263157
Inchi InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2
Smiles C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent O-glycosyl compounds

  • 1. Outgoing r'ship FOUND_IN to/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Cistanche Mongolica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cistanche Salsa (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Cistanche Tubulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Haplopappus Deserticola (Plant) Rel Props:Reference:
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