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139356-39-1 | Phosphine oxide, [2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethyl]diphenyl-
CAS No: 139356-39-1 Catalog No: AG001AUN MDL No:
Product Description
Catalog Number:
AG001AUN
Chemical Name:
Phosphine oxide, [2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethyl]diphenyl-
CAS Number:
139356-39-1
Molecular Formula:
C32H51O3PSi2
Molecular Weight:
570.8903
IUPAC Name:
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
InChI:
InChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-21,27-28H,22-25H2,1-10H3/t27-,28-/m1/s1
InChI Key:
LOVRVVSIBIVFTN-VSGBNLITSA-N
SMILES:
CC([Si](O[C@H]1C[C@@H](CC(=CCP(=O)(c2ccccc2)c2ccccc2)C1)O[Si](C(C)(C)C)(C)C)(C)C)(C)C
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
570.311g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.901g/mol
Monoisotopic Mass:
570.311g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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