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Substance Name: Acetobromglucose
RN: 572-09-8
UNII: ETH4010665
InChIKey: CYAYKKUWALRRPA-RGDJUOJXSA-N

Molecular Formula

  • C14-H19-Br-O9

Molecular Weight

  • 411.199
 
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Names and Synonyms

Name of Substance

  • Acetobromglucose

Synonyms

  • EINECS 209-339-0
  • UNII-ETH4010665

Systematic Names

  • 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromide
  • alpha-D-Glucopyranosyl bromide, tetraacetate

Registry Numbers

CAS Registry Number

  • 572-09-8

FDA UNII

  • ETH4010665

System Generated Number

  • 0000572098

Structure Descriptors

InChI

1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1

InChIKey

CYAYKKUWALRRPA-RGDJUOJXSA-N

Smiles

O(C(=O)C)C[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1OC(C)=O)OC(=O)C)OC(=O)C)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 88.5 deg C   EXP
log P (octanol-water) 0.060 (none)   EST
Atmospheric OH Rate Constant 2.51E-11 cm3/molecule-sec 25 EST

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