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


Chemical Name: 3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone,8,9,14,15,24,25-hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S)-
CAS Number: 21411-53-0
Product Number: AG00BC45(AGN-PC-0QXZIX)
Synonyms:
MDL No: MFCD00869411
Molecular Formula: C28H35N3O7
Molecular Weight: 525.5934

Identification/Properties


Computed Properties
Molecular Weight:
525.602g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
525.248g/mol
Monoisotopic Mass:
525.248g/mol
Topological Polar Surface Area:
139A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
1030
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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


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