(2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid


Chemical Name: (2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
CAS Number: 116355-84-1
Product Number: AG000CAC(AGN-PC-000C74)
Synonyms:
MDL No: MFCD00133350
Molecular Formula: C34H59NO14
Molecular Weight: 705.8306

Identification/Properties


Computed Properties
Molecular Weight:
705.839g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
31
Exact Mass:
705.394g/mol
Monoisotopic Mass:
705.394g/mol
Topological Polar Surface Area:
268A^2
Heavy Atom Count:
49
Formal Charge:
0
Complexity:
1040
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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