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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)-

Echinocandin B,1-[(4R,5R)-4,5-dihydroxy-N2-[[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl]-L-ornithine]-

CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(cc1)O)O)O)C(O)C)C Request for Quotation
Chemical Name: Echinocandin B,1-[(4R,5R)-4,5-dihydroxy-N2-[[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl]-L-ornithine]-
CAS Number: 166663-25-8
Product Number: AG001WVR(AGN-PC-0Q8XA9)
Synonyms:
MDL No: MFCD00917070
Molecular Formula: C58H73N7O17
Molecular Weight: 1140.2369

Identification/Properties

Computed Properties
Molecular Weight:
1140.254g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
14
Hydrogen Bond Acceptor Count:
17
Rotatable Bond Count:
14
Exact Mass:
1139.506g/mol
Monoisotopic Mass:
1139.506g/mol
Topological Polar Surface Area:
377A^2
Heavy Atom Count:
82
Formal Charge:
0
Complexity:
2150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
15
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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