(3β)-Cholest-5-En-3-Yl (6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C38H46NO9
IUPAC Name carbon dioxide; 5-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-3-(cyclopropylidenemethylene)cyclobutyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-2-isocyano-pent-1-en-4-yne-1,3-dione; methanone
Molecular Mass 660.773 g·mol−1
Heat of Formation -2039.9 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 861.82 Å 3
Surface Area 649.84 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 3.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-2-[[(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • alpha-sialosyl cholesterol
  • alpha-sialyl cholesterol
  • alpha-sialylcholesterol
  • d-glycero-alpha-d-galacto-2-nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, (3beta)-cholest-5-en-3-yl ester
  • n-acetylneuraminyl cholesterol
  • n-acetyneuraminyl cholesterol
  • n-ana cholesterol
CAS Number(s)
  • 113108-90-0
InChIKey GCQWCBFLOFFTJT-CANRKIPKSA-N
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