2,2',2'',2'''-{(2S,3R,4R,5R,6S)-6-[(2-Bromoacetoxy)Methyl]Tetrahydro-2H-Pyran-2,3,4,5-Tetrayl}Tetraacetic Acid

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Properties Simple | Detailed

Formula C16H21BrO11
IUPAC Name 2-[(2s,3r,4r,5r,6s)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)tetrahydropyran-4-yl]acetic acid
Molecular Mass 469.235 g·mol−1
Heat of Formation -2171.5 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 459.9 Å 3
Surface Area 365.11 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4-tetra-o-acetyl-6-o-bromoacetylgalactopyranose
  • 2-[(2s,3r,4r,5r,6s)-2-(2-bromoethanoyloxymethyl)-3,5,6-tris(carboxymethyl)oxan-4-yl]ethanoic acid
  • 2-[(2s,3r,4r,5r,6s)-2-[(2-bromo-1-oxoethoxy)methyl]-3,5,6-tris(carboxymethyl)-4-tetrahydropyranyl]acetic acid
  • 2-[(2s,3r,4r,5r,6s)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)oxan-4-yl]acetic acid
  • 2-[(2s,3r,4r,5r,6s)-2-[(2-bromoacetyl)oxymethyl]-3,5,6-tris(carboxymethyl)tetrahydropyran-4-yl]acetic acid
  • tetra-ac-bracgal
CAS Number(s)
  • 98416-49-0
InChIKey HXUQNGGEPSSWOT-MVCUBJFGSA-N
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Elements H C O Br