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501427-92-5 | Neu5Ac alpha(2-3)Gal beta(1-4)GlcNAc-beta-pNP
CAS No: 501427-92-5 Catalog No: AG003T0X MDL No:
Product Description
Catalog Number:
AG003T0X
Chemical Name:
Neu5Ac alpha(2-3)Gal beta(1-4)GlcNAc-beta-pNP
CAS Number:
501427-92-5
IUPAC Name:
(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
InChI:
InChI=1S/C31H45N3O21/c1-11(38)32-19-15(40)7-31(30(46)47,54-26(19)21(42)16(41)8-35)55-27-22(43)17(9-36)51-29(24(27)45)53-25-18(10-37)52-28(20(23(25)44)33-12(2)39)50-14-5-3-13(4-6-14)34(48)49/h3-6,15-29,35-37,40-45H,7-10H2,1-2H3,(H,32,38)(H,33,39)(H,46,47)/t15-,16-,17+,18+,19-,20+,21-,22+,23-,24+,25-,26-,27+,28-,29+,31+/m1/s1
InChI Key:
OUJZEVYPUZNYBL-SGZWRCNRSA-N
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
16
Defined Bond Stereocenter Count:
0
Exact Mass:
795.255g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
795.701g/mol
Monoisotopic Mass:
795.255g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
379A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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