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1040274-10-9

1040274-10-9 | (S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX

CAS No: 1040274-10-9 Catalog No: AG008VAU MDL No:MFCD17018765

Product Description

Catalog Number:
AG008VAU
Chemical Name:
(S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX
CAS Number:
1040274-10-9
Molecular Formula:
C55H66NOP
Molecular Weight:
788.0924
MDL Number:
MFCD17018765
IUPAC Name:
[(3S)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-ditert-butylphenyl)phosphane
InChI:
InChI=1S/C55H66NOP/c1-51(2,3)39-29-40(52(4,5)6)32-44(31-39)58(45-33-41(53(7,8)9)30-42(34-45)54(10,11)12)47-23-17-21-38-25-27-55(49(38)47)26-24-37-20-16-22-46(48(37)55)50-56-43(35-57-50)28-36-18-14-13-15-19-36/h13-23,29-34,43H,24-28,35H2,1-12H3/t43-,55-/m0/s1
InChI Key:
UAWQRALEHCBVCD-QVROPDMNSA-N
SMILES:
CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@@]1(CCc3c1c(ccc3)C1=N[C@H](CO1)Cc1ccccc1)CC2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C

Properties

Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
787.488g/mol
Formal Charge:
0
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
788.113g/mol
Monoisotopic Mass:
787.488g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7  

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