(E,2R,3S,4S)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid


Chemical Name: (E,2R,3S,4S)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
CAS Number: 35891-70-4
Product Number: AG00I743(AGN-PC-04XX8I)
Synonyms:
MDL No: MFCD01632772
Molecular Formula: C21H39NO6
Molecular Weight: 401.5375

Identification/Properties


Computed Properties
Molecular Weight:
401.544g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
18
Exact Mass:
401.278g/mol
Monoisotopic Mass:
401.278g/mol
Topological Polar Surface Area:
141A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
468
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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