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Substance Name: Picein
RN: 530-14-3
UNII: 2H3ACT49CQ
InChIKey: GOZCEKPKECLKNO-RKQHYHRCSA-N

Molecular Formula

  • C14-H18-O7

Molecular Weight

  • 298.289
 
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Names and Synonyms

Name of Substance

  • Picein

Synonyms

  • EINECS 208-473-7
  • UNII-2H3ACT49CQ

Systematic Name

  • 1-(4-(beta-D-Glucopyranosyloxy)phenyl)ethan-1-one

Registry Numbers

CAS Registry Number

  • 530-14-3

FDA UNII

  • 2H3ACT49CQ

System Generated Number

  • 0000530143

Structure Descriptors

InChI

1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1

InChIKey

GOZCEKPKECLKNO-RKQHYHRCSA-N

Smiles

c1cc(C(=O)C)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 195.5 deg C   EXP
log P (octanol-water) -0.820 (none)   EST
Water Solubility 2.00E+04 mg/L 15 EXP
Atmospheric OH Rate Constant 8.17E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.