4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2,3-dihydroxybutanedioic acid


Chemical Name: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2,3-dihydroxybutanedioic acid
CAS Number: 23210-58-4
Product Number: AG002MJC(AGN-PC-00IQT2)
Synonyms:
MDL No:
Molecular Formula: C46H60N2O10
Molecular Weight: 800.9760

Identification/Properties


Computed Properties
Molecular Weight:
800.99g/mol
Hydrogen Bond Donor Count:
8
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
13
Exact Mass:
800.425g/mol
Monoisotopic Mass:
800.425g/mol
Topological Polar Surface Area:
203A^2
Heavy Atom Count:
58
Formal Charge:
0
Complexity:
487
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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