(E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide;dihydrate


Chemical Name: (E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide;dihydrate
CAS Number: 43229-80-7
Product Number: AG019FU9(AGN-PC-07CF02)
Synonyms:
MDL No: MFCD11045919
Molecular Formula: C42H52N4O12
Molecular Weight: 804.8819

Identification/Properties


Properties
MP:
138-140℃
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
804.894g/mol
Hydrogen Bond Donor Count:
10
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
18
Exact Mass:
804.358g/mol
Monoisotopic Mass:
804.358g/mol
Topological Polar Surface Area:
256A^2
Heavy Atom Count:
58
Formal Charge:
0
Complexity:
507
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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