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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Roquefortine E

C=CC(c1nc[nH]c1/C=C1/NC(=O)[C@H]2N(C1=O)[C@@H]1Nc3c([C@@]1(C2)C(C=C)(C)C)cccc3)(C)C Request for Quotation
Chemical Name: Roquefortine E
CAS Number: 871982-52-4
Product Number: AG01E5LG(AGN-PC-0WAIDK)
Synonyms:
MDL No:
Molecular Formula: C27H31N5O2
Molecular Weight: 457.5673

Identification/Properties

Computed Properties
Molecular Weight:
457.578g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
457.248g/mol
Monoisotopic Mass:
457.248g/mol
Topological Polar Surface Area:
90.1A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
939
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

NMR Spectrum

Other Analytical Data

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