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Structure

iso-b-Pentasaccharide from human urine

CAS
128464-26-6
Catalog Number
ACM128464266
Category
Other Products
Molecular Weight
796.72
Molecular Formula
C30H52O24

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Specification

Synonyms
BLeb-Pentasaccharide, iso-B-Pentasaccharide, |A-Gal-(1 inverted exclamation marku3)-(|A-Fuc-[1 inverted exclamation marku2])-|A-Gal-(1 inverted exclamation marku3)-(|A-Fuc-[1 inverted exclamation marku4])-Glc, 128464-26-6
IUPAC Name
(2S,3S,4R,5S,6S)-2-[(2R,3R,4R,5R)-5,6-dihydroxy-4-[(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-2-(hydroxymethyl)ox
Canonical SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)CO)O)O)O
InChI Key
NBSHZBYQWUYOIS-NCWFDBPASA-N
Exact Mass
796.28500
H-Bond Acceptor
24
H-Bond Donor
15
WGK Germany
3
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