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860036-29-9 | (1R,2R)-N,N'-Dihydroxy-N,N'-bis(3,3,3-triphenylpropionyl)cyclohexane-1,2-diamine
CAS No: 860036-29-9 Catalog No: AG0032BG MDL No:
Product Description
Catalog Number:
AG0032BG
Chemical Name:
(1R,2R)-N,N'-Dihydroxy-N,N'-bis(3,3,3-triphenylpropionyl)cyclohexane-1,2-diamine
CAS Number:
860036-29-9
Molecular Formula:
C48H46N2O4
Molecular Weight:
714.8898
IUPAC Name:
N-hydroxy-N-[(1R,2R)-2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
InChI:
InChI=1S/C48H46N2O4/c51-45(35-47(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39)49(53)43-33-19-20-34-44(43)50(54)46(52)36-48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,43-44,53-54H,19-20,33-36H2/t43-,44-/m1/s1
InChI Key:
VWHFLRGVWVBFFY-NDOUMJCMSA-N
SMILES:
ON([C@@H]1CCCC[C@H]1N(C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
972
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
714.346g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
714.906g/mol
Monoisotopic Mass:
714.346g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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