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Substance Name: Diacetoneglucose
RN: 582-52-5
UNII: R3P8TN410C
InChIKey: KEJGAYKWRDILTF-JDDHQFAOSA-N

Note

  • Used in determination of blood glucose.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-O6

Molecular Weight

  • 260.284
 
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Names and Synonyms

Name of Substance

  • 1,2-5,6-Di-O-isopropylidene-D-glucofuranose
  • Diacetoneglucose

Synonyms

  • 1,2:5,6-Diisopropylidene-alpha-D-glucofuranose
  • 1,2:5,6-Diisopropylidene-D-glucose
  • 1:2,5:6-Di-O-isopropyliden-alpha-D-glucofuranose
  • 1:2,5:6-Di-O-isopropyliden-alpha-D-glucofuranose [German]
  • 1:2,5:6-Di-O-isopropylidene-alpha-D-glucofuranose
  • AI3-61543
  • Diacetone glucose
  • Diacetone-D-glucose
  • EINECS 209-486-0
  • Glucose bisacetonide
  • Glucose diacetonide
  • NSC 1223
  • UNII-R3P8TN410C

Systematic Names

  • 1,2:5,6-Di-O-isopropylidene-alpha-D-glucofuranose
  • alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
  • alpha-D-Glucofuranose, 1,2:5,6-di-O-(1-methylethylidene)-
  • Glucofuranose, 1:2,5:6-di-O-isopropylidene-, alpha-D-

Registry Numbers

CAS Registry Number

  • 582-52-5

FDA UNII

  • R3P8TN410C

Other Registry Numbers

  • 12587-95-0
  • 131334-70-8
  • 1821051-23-3
  • 211254-42-1
  • 311342-06-0
  • 6078-38-2
  • 620630-82-2
  • 65561-77-5
  • 886202-52-4

System Generated Number

  • 0000582525

Structure Descriptors

InChI

1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9-,10-/m1/s1

InChIKey

KEJGAYKWRDILTF-JDDHQFAOSA-N

Smiles

CC1(C)OC[C@@H](O1)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4gm/kg (4000mg/kg) BEHAVIORAL: ANALGESIA Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 986, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.340 (none)   EST
Water Solubility 4.27E+04 mg/L 18 EXP
Atmospheric OH Rate Constant 4.69E-11 cm3/molecule-sec 25 EST

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