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Substance Name: Pentaacetyl-alpha-D-glucose
RN: 604-68-2
UNII: 1CS424NS93
InChIKey: LPTITAGPBXDDGR-LJIZCISZSA-N

Molecular Formula

  • C16-H22-O11

Molecular Weight

  • 390.3388
 
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Names and Synonyms

Results Name

  • Pentaacetyl-alpha-D-glucose

Name of Substance

  • alpha-D-Glucose pentaacetate

Synonyms

  • alpha-D-Glucopyranose pentaacetate
  • alpha-D-Glucose pentaacetate
  • EINECS 210-073-2
  • NSC 119335
  • NSC 9290
  • Pentaacetyl-alpha-D-glucose
  • UNII-1CS424NS93

Systematic Names

  • alpha-D-Glucopyranose, 1,2,3,4,6-pentaacetate
  • alpha-D-Glucopyranose, pentaacetate
  • alpha-D-Glucose pentaacetate

Registry Numbers

CAS Registry Number

  • 604-68-2

FDA UNII

  • 1CS424NS93

System Generated Number

  • 0000604682

Structure Descriptors

InChI

1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1

InChIKey

LPTITAGPBXDDGR-LJIZCISZSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 113.3 deg C   EXP
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 1020 mg/L 25 EST
Vapor Pressure 7.48E-07 mm Hg 25 EST
Henry's Law Constant 1.14E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.73E-11 cm3/molecule-sec 25 EST

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