(2S,3S)-2-(Benzyloxy)butane-1,3,4-triol | SBID = 89 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 69.9
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -0.3
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 3.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 2.0
3D Volume/Å3: 167.0
Sum Formula: C11H16O4
M / g/mol: 212.245
Complexity: 157.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: (2S,3S)-2-(Benzyloxy)butane-1,3,4-triol
  • Preferred Abbreviation: (2S,3S)-2-(Benzyloxy)butane-1,3,4-triol
  • IUPAC Name: (2S,3S)-3-phenylmethoxybutane-1,2,4-triol
  • CAS: 84379-51-1
  • CID: 10921802
  • InChiKey: YYGZBCNOJHZTGA-QWRGUYRKSA-N
  • InChi: InChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m0/s1
  • CanoSmiles: C1=CC=C(C=C1)COC(CO)C(CO)O
  • IsoSmiles: C1=CC=C(C=C1)CO[C@@H](CO)[C@H](CO)O