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Home > Other Heterocycles > 1298133-36-4
1298133-36-4 | (R)-DTB-SpiroPAP-3-Me
CAS No: 1298133-36-4 Catalog No: AG01DH7O MDL No:MFCD30187941
Product Description
Catalog Number:
AG01DH7O
Chemical Name:
(R)-DTB-SpiroPAP-3-Me
CAS Number:
1298133-36-4
Molecular Formula:
C52H65N2P
Molecular Weight:
749.0597
MDL Number:
MFCD30187941
IUPAC Name:
(3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-[(3-methylpyridin-2-yl)methyl]-3,3'-spirobi[1,2-dihydroindene]-4-amine
InChI:
InChI=1S/C52H65N2P/c1-34-17-16-26-53-44(34)33-54-43-20-14-18-35-22-24-52(46(35)43)25-23-36-19-15-21-45(47(36)52)55(41-29-37(48(2,3)4)27-38(30-41)49(5,6)7)42-31-39(50(8,9)10)28-40(32-42)51(11,12)13/h14-21,26-32,54H,22-25,33H2,1-13H3/t52-/m1/s1
InChI Key:
XDNYVKUMWMLBJV-OIVUAWODSA-N
SMILES:
Cc1cccnc1CNc1cccc2c1[C@@]1(CC2)CCc2c1c(ccc2)P(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
748.489g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
749.08g/mol
Monoisotopic Mass:
748.489g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15
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