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913829-88-6 | (S)-(-)-7-[4(S)-(Benzyl)oxazol-2-yl]-7-diphenylphosphino-2,23,3tetrahydro-1,1'-spiroiindane, min. 97% (Sa,S)-Ph-Bn-SIPHOX
CAS No: 913829-88-6 Catalog No: AG00GVGH MDL No:MFCD17018764
Product Description
Catalog Number:
AG00GVGH
Chemical Name:
(S)-(-)-7-[4(S)-(Benzyl)oxazol-2-yl]-7-diphenylphosphino-2,23,3tetrahydro-1,1'-spiroiindane, min. 97% (Sa,S)-Ph-Bn-SIPHOX
CAS Number:
913829-88-6
Molecular Formula:
C39H34NOP
Molecular Weight:
563.6671
MDL Number:
MFCD17018764
IUPAC Name:
[(3S)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-diphenylphosphane
InChI:
InChI=1S/C39H34NOP/c1-4-12-28(13-5-1)26-31-27-41-38(40-31)34-20-10-14-29-22-24-39(36(29)34)25-23-30-15-11-21-35(37(30)39)42(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-21,31H,22-27H2/t31-,39-/m0/s1
InChI Key:
WDIPXXMCRPGMIB-XSEQESSCSA-N
SMILES:
c1ccc(cc1)C[C@H]1COC(=N1)c1cccc2c1[C@]1(CC2)CCc2c1c(ccc2)P(c1ccccc1)c1ccccc1
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
563.238g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
563.681g/mol
Monoisotopic Mass:
563.238g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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