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528814-26-8 | (1R,1′R,2S,2′S)-DuanPhos
CAS No: 528814-26-8 Catalog No: AG003BFX MDL No:
Product Description
Catalog Number:
AG003BFX
Chemical Name:
(1R,1′R,2S,2′S)-DuanPhos
CAS Number:
528814-26-8
Molecular Formula:
C24H32P2
Molecular Weight:
382.4584
IUPAC Name:
(1R)-2-tert-butyl-1-[(1R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole
InChI:
InChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21-,22-,25?,26?/m1/s1
InChI Key:
HCBRTCFUVLYSKU-URFUVCHWSA-N
SMILES:
CC(P1Cc2c([C@@H]1[C@H]1c3ccccc3CP1C(C)(C)C)cccc2)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
382.198g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.468g/mol
Monoisotopic Mass:
382.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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