3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone,26-[[2-(diethylamino)ethyl]sulfonyl]-8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-,(3R,4R,5E,10E,12E,14S,26R,26aS)-


Chemical Name: 3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone,26-[[2-(diethylamino)ethyl]sulfonyl]-8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-,(3R,4R,5E,10E,12E,14S,26R,26aS)-
CAS Number: 112362-50-2
Product Number: AG008T3Q(AGN-PC-0P3CIH)
Synonyms:
MDL No: MFCD00895414
Molecular Formula: C34H50N4O9S
Molecular Weight: 690.8472

Identification/Properties


Computed Properties
Molecular Weight:
690.853g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
7
Exact Mass:
690.33g/mol
Monoisotopic Mass:
690.33g/mol
Topological Polar Surface Area:
185A^2
Heavy Atom Count:
48
Formal Charge:
0
Complexity:
1340
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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