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913829-90-0 | Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
CAS No: 913829-90-0 Catalog No: AG00H13E MDL No:MFCD21362522
Product Description
Catalog Number:
AG00H13E
Chemical Name:
Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
CAS Number:
913829-90-0
Molecular Formula:
C43H42NOP
Molecular Weight:
619.7734
MDL Number:
MFCD21362522
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-dimethylphenyl)phosphane
InChI:
InChI=1S/C43H42NOP/c1-28-20-29(2)23-36(22-28)46(37-24-30(3)21-31(4)25-37)39-15-9-13-34-17-19-43(41(34)39)18-16-33-12-8-14-38(40(33)43)42-44-35(27-45-42)26-32-10-6-5-7-11-32/h5-15,20-25,35H,16-19,26-27H2,1-4H3/t35-,43-/m0/s1
InChI Key:
HIVLVUWPNHHMAS-NKTCMXKJSA-N
SMILES:
Cc1cc(C)cc(c1)P(c1cccc2c1[C@@]1(CCc3c1c(ccc3)C1=N[C@H](CO1)Cc1ccccc1)CC2)c1cc(C)cc(c1)C
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
619.3g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
619.789g/mol
Monoisotopic Mass:
619.3g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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