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917599-27-0 | Oxazolidine, 2-(9-anthracenyl)-3,4-bis(phenylmethyl)-, (2S,4S)-
CAS No: 917599-27-0 Catalog No: AG006PNF MDL No:
Product Description
Catalog Number:
AG006PNF
Chemical Name:
Oxazolidine, 2-(9-anthracenyl)-3,4-bis(phenylmethyl)-, (2S,4S)-
CAS Number:
917599-27-0
Molecular Formula:
C31H27NO
Molecular Weight:
429.5522
IUPAC Name:
(2S,4S)-2-anthracen-9-yl-3,4-dibenzyl-1,3-oxazolidine
InChI:
InChI=1S/C31H27NO/c1-3-11-23(12-4-1)19-27-22-33-31(32(27)21-24-13-5-2-6-14-24)30-28-17-9-7-15-25(28)20-26-16-8-10-18-29(26)30/h1-18,20,27,31H,19,21-22H2/t27-,31-/m0/s1
InChI Key:
FQLRWIWWHIFQIV-DHIFEGFHSA-N
SMILES:
c1ccc(cc1)CN1[C@H](CO[C@H]1c1c2ccccc2cc2c1cccc2)Cc1ccccc1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
429.209g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.563g/mol
Monoisotopic Mass:
429.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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