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Substance Name: Phenylglucoside
RN: 1464-44-4
UNII: 4W3PGI3766
InChIKey: NEZJDVYDSZTRFS-RMPHRYRLSA-N

Molecular Formula

  • C12-H16-O6

Molecular Weight

  • 256.252
 
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Names and Synonyms

Name of Substance

  • Phenylglucoside

Synonyms

  • 5-17-07-00046 (Beilstein Handbook Reference)
  • BRN 0087517
  • EINECS 215-978-6
  • Glucopyranoside, phenyl-, beta-D-
  • Phenol glucoside
  • Phenyl beta-D-glucopyranoside
  • Phenyl beta-D-glucoside
  • UNII-4W3PGI3766

Systematic Names

  • beta-D-Glucopyranoside, phenyl
  • Phenyl beta-D-glucopyranoside

Registry Numbers

CAS Registry Number

  • 1464-44-4

FDA UNII

  • 4W3PGI3766

Other Registry Numbers

  • 30370-91-3
  • 62505-72-0

System Generated Number

  • 0001464444

Structure Descriptors

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

InChIKey

NEZJDVYDSZTRFS-RMPHRYRLSA-N

Smiles

c1ccccc1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 980mg/kg (980mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 49, Pg. 84, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 176-178 deg C   EXP
log P (octanol-water) -0.75 (none)   EXP
Water Solubility 2.98E+04 mg/L 18 EXP
Vapor Pressure 7.66E-11 mm Hg 25 EST
Henry's Law Constant 1.15E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.35E-11 cm3/molecule-sec 25 EST

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