Phenyl-β-D-glucopyranoside | SBID = 1943 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 99.4
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -0.9
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 5.0
3D Volume/Å3: 187.4
Sum Formula: C12H16O6
M / g/mol: 256.25
Complexity: 255.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: Phenyl-β-D-glucopyranoside
  • Preferred Abbreviation: Phenyl-β-D-glucopyranoside
  • IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
  • CAS: 1464-44-4
  • CID: 65080
  • InChiKey: NEZJDVYDSZTRFS-RMPHRYRLSA-N
  • 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
  • CanoSmiles: C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
  • IsoSmiles: C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O