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  2. [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2S,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate

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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)-

[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2S,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate

CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC Request for Quotation
Chemical Name: [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2S,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
CAS Number: 56124-62-0
Product Number: AG00DEBH(AGN-PC-00P4RN)
Synonyms:
MDL No:
Molecular Formula: C34H36F3NO13
Molecular Weight: 723.6437

Identification/Properties

Computed Properties
Molecular Weight:
723.651g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
16
Rotatable Bond Count:
11
Exact Mass:
723.214g/mol
Monoisotopic Mass:
723.214g/mol
Topological Polar Surface Area:
215A^2
Heavy Atom Count:
51
Formal Charge:
0
Complexity:
1350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
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:
Danger
UN#:
2811
Hazard Statements:
H302-H340-H350-H360
Precautionary Statements:
P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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