2-[(4E,8E,12E,16E)-21-[(2S,4aR,5R,8R,8aS)-8-[(E)-(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-3,8-dimethyl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide


Chemical Name: 2-[(4E,8E,12E,16E)-21-[(2S,4aR,5R,8R,8aS)-8-[(E)-(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-3,8-dimethyl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide
CAS Number: 485815-59-6
Product Number: AG00DKMZ(AGN-PC-0AKO7K)
Synonyms:
MDL No:
Molecular Formula: C46H72N4O10
Molecular Weight: 841.0847

Identification/Properties


Computed Properties
Molecular Weight:
841.1g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
11
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
20
Exact Mass:
840.525g/mol
Monoisotopic Mass:
840.525g/mol
Topological Polar Surface Area:
261A^2
Heavy Atom Count:
60
Formal Charge:
0
Complexity:
1690
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
14
Defined Bond Stereocenter Count:
5
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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