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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)-

Pneumocandin B0

CCC(CC(CCCCCCCCC(=O)N[C@H]1C[CH][CH]NC(=O)[C@@H]2[CH]CCN2C(=O)[CH]NC(=O)[CH]NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[CH]C2)C)C Request for Quotation
Chemical Name: Pneumocandin B0
CAS Number: 135575-42-7
Product Number: AG007ZI8(AGN-PC-0PKN1F)
Synonyms:
MDL No:
Molecular Formula: C39H61N7O8
Molecular Weight: 755.9437

Identification/Properties

Computed Properties
Molecular Weight:
1065.229g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
15
Hydrogen Bond Acceptor Count:
17
Rotatable Bond Count:
20
Exact Mass:
1064.564g/mol
Monoisotopic Mass:
1064.564g/mol
Topological Polar Surface Area:
411A^2
Heavy Atom Count:
75
Formal Charge:
0
Complexity:
1930
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
14
Undefined Atom Stereocenter Count:
2
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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