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3'-N-ACETYLNEURAMINYL-N-ACETYLLACTOSAMINE SODIUM SALT

CAS No.:
81693-22-3
Catalog Number:
AG00G4PF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G4PF
Chemical Name:
3'-N-ACETYLNEURAMINYL-N-ACETYLLACTOSAMINE SODIUM SALT
CAS Number:
81693-22-3
MDL Number:
MFCD00132996
IUPAC Name:
sodium;(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
InChI:
InChI=1S/C25H42N2O19.Na/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-20(17(36)14(22(39)43-12)27-8(2)31)45-23-19(38)18(37)16(35)11(5-29)44-23;/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41);/q;+1/p-1/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22?,23-,25+;/m0./s1
InChI Key:
INEFLSBORUBCTG-METCSLGWSA-M
Properties
Complexity:
1060  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
0
Exact Mass:
696.22g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
696.588g/mol
Monoisotopic Mass:
696.22g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
347A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties