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Home > Other Heterocycles > 1298133-21-7
1298133-21-7 | (R)-DTB-SpiroPAP
CAS No: 1298133-21-7 Catalog No: AG01DH7J MDL No:MFCD30187942
Product Description
Catalog Number:
AG01DH7J
Chemical Name:
(R)-DTB-SpiroPAP
CAS Number:
1298133-21-7
Molecular Formula:
C51H63N2P
Molecular Weight:
735.0331
MDL Number:
MFCD30187942
IUPAC Name:
(3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-(pyridin-2-ylmethyl)-3,3'-spirobi[1,2-dihydroindene]-4-amine
InChI:
InChI=1S/C51H63N2P/c1-47(2,3)36-27-37(48(4,5)6)30-41(29-36)54(42-31-38(49(7,8)9)28-39(32-42)50(10,11)12)44-21-16-18-35-23-25-51(46(35)44)24-22-34-17-15-20-43(45(34)51)53-33-40-19-13-14-26-52-40/h13-21,26-32,53H,22-25,33H2,1-12H3/t51-/m1/s1
InChI Key:
NVZSJGBGNHNBSQ-NLXJDERGSA-N
SMILES:
CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@]1(CCc3c1c(ccc3)NCc1ccccn1)CC2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
734.473g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
735.053g/mol
Monoisotopic Mass:
734.473g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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