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Substance Name: Methylarbutin
RN: 6032-32-2
UNII: F9MW5FU0XH
InChIKey: SIXFVXJMCGPTRB-UJPOAAIJSA-N

Molecular Formula

  • C13-H18-O7

Molecular Weight

  • 286.278
 
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Names and Synonyms

Name of Substance

  • 4-Methoxyphenylglucoside
  • Methylarbutin

Synonyms

  • p-Methoxyphenyl beta-D-glucopyranoside
  • UNII-F9MW5FU0XH

Systematic Name

  • beta-D-Glucopyranoside, 4-methoxyphenyl

Registry Numbers

CAS Registry Number

  • 6032-32-2

FDA UNII

  • F9MW5FU0XH

System Generated Number

  • 0006032322

Structure Descriptors

InChI

1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1

InChIKey

SIXFVXJMCGPTRB-UJPOAAIJSA-N

Smiles

c1c(ccc(c1)OC)O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](CO)O1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 158-160 deg C   EXP
log P (octanol-water) -0.73 (none)   EXP
Water Solubility 6.20E+04 mg/L 25 EST
Vapor Pressure 7.72E-12 mm Hg 25 EST
Henry's Law Constant 6.80E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.15E-11 cm3/molecule-sec 25 EST

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