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890090-21-8 | (R)-7,7Bis[(4S)-(phenyl)oxazol-2-yl)]-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Ra,S,S)-SpiroBOX
CAS No: 890090-21-8 Catalog No: AG00GVX7 MDL No:MFCD17018766
Product Description
Catalog Number:
AG00GVX7
Chemical Name:
(R)-7,7Bis[(4S)-(phenyl)oxazol-2-yl)]-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Ra,S,S)-SpiroBOX
CAS Number:
890090-21-8
Molecular Formula:
C35H30N2O2
Molecular Weight:
510.6249
MDL Number:
MFCD17018766
IUPAC Name:
(4S)-4-phenyl-2-[4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-38-33(36-29)27-15-7-13-25-17-19-35(31(25)27)20-18-26-14-8-16-28(32(26)35)34-37-30(22-39-34)24-11-5-2-6-12-24/h1-16,29-30H,17-22H2/t29-,30-,35?/m1/s1
InChI Key:
OUEHZICAZAUZFM-NYHVVPQYSA-N
SMILES:
c1ccc(cc1)[C@H]1COC(=N1)c1cccc2c1C1(CC2)CCc2c1c(ccc2)C1=N[C@H](CO1)c1ccccc1
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
510.231g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.637g/mol
Monoisotopic Mass:
510.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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