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114751-47-2 | 1-Pyrrolidinecarboxylic acid, 4-(dicyclohexylphosphino)-2-[(diphenylphosphino)methyl]-, 1,1-dimethylethyl ester, (2R,4R)-
CAS No: 114751-47-2 Catalog No: AG000F5A MDL No:
Product Description
Catalog Number:
AG000F5A
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-(dicyclohexylphosphino)-2-[(diphenylphosphino)methyl]-, 1,1-dimethylethyl ester, (2R,4R)-
CAS Number:
114751-47-2
Molecular Formula:
C34H49NO2P2
Molecular Weight:
565.7059
IUPAC Name:
tert-butyl (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C34H49NO2P2/c1-34(2,3)37-33(36)35-25-32(39(30-20-12-6-13-21-30)31-22-14-7-15-23-31)24-27(35)26-38(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h4-5,8-11,16-19,27,30-32H,6-7,12-15,20-26H2,1-3H3/t27-,32-/m1/s1
InChI Key:
UJOCELPDGJCWDG-WXGMZPBLSA-N
SMILES:
O=C(N1C[C@@H](C[C@@H]1CP(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1)OC(C)(C)C
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
565.324g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
565.719g/mol
Monoisotopic Mass:
565.324g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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