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Substance Name: Glucopyranoside, 1-O-thymyl-, beta-D-
RN: 20772-23-0
InChIKey: GKQGIQVSMCHAFX-IBEHDNSVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-O6

Molecular Weight

  • 312.36
 
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Names and Synonyms

Synonyms

  • 1-O-Thymyl-beta-D-glucopyranoside
  • beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
  • Thymol-beta-D-glucoside

Systematic Name

  • Glucopyranoside, 1-O-thymyl-, beta-D-

Registry Numbers

CAS Registry Number

  • 20772-23-0

System Generated Number

  • 0020772230

Structure Descriptors

InChI

1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1

InChIKey

GKQGIQVSMCHAFX-IBEHDNSVSA-N

Smiles

c1c(C)ccc(C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 73, Pg. 402, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.07 (none)   EXP
Water Solubility 1270 mg/L 25 EST
Vapor Pressure 1.85E-12 mm Hg 25 EST
Henry's Law Constant 2.47E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-10 cm3/molecule-sec 25 EST

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