B-PENTASACCHARIDE
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B-PENTASACCHARIDE
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CAS No:
72468-43-0
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Formula:
C30H52O24
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Chemical Name:
B-PENTASACCHARIDE
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Synonyms:
ALPHA-FUC-[1->2][ALPHA-GAL-(1->3)]-BETA-GAL-[1->4][ALPHA-FUC-(1->3)]-GLC;II2FUC,I3FUC-IGBOSE3;B-PENTA;B-PENTASACCHARIDE;B-pentasaccharide from human urine;α-fuc-(1→2)(α-gal-[1→3])-β-gal-(1→4)(α-fuc-[1→3])-glc;BloodGroupBPentasaccharide;(2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
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CAS No:
Description
(2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-Dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol is an oligosaccharide.
Computed Properties
Molecular Weight:796.7
XLogP3:-8.5
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:11
Exact Mass:796.28485252
Monoisotopic Mass:796.28485252
Topological Polar Surface Area:387
Heavy Atom Count:54
Complexity:1170
Defined Atom Stereocenter Count:24
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes