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1809609-53-7 | (R)-DTB-SpiroSAP
CAS No: 1809609-53-7 Catalog No: AG01DH80 MDL No:MFCD29905428
Product Description
Catalog Number:
AG01DH80
Chemical Name:
(R)-DTB-SpiroSAP
CAS Number:
1809609-53-7
Molecular Formula:
C50H66NPS2
Molecular Weight:
776.1695
MDL Number:
MFCD29905428
IUPAC Name:
(3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-(1,3-dithian-2-ylmethyl)-3,3'-spirobi[1,2-dihydroindene]-4-amine
InChI:
InChI=1S/C50H66NPS2/c1-46(2,3)35-26-36(47(4,5)6)29-39(28-35)52(40-30-37(48(7,8)9)27-38(31-40)49(10,11)12)42-19-14-17-34-21-23-50(45(34)42)22-20-33-16-13-18-41(44(33)50)51-32-43-53-24-15-25-54-43/h13-14,16-19,26-31,43,51H,15,20-25,32H2,1-12H3/t50-/m1/s1
InChI Key:
BNYILTASQNPKOC-VCZQVZGSSA-N
SMILES:
CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@]1(CCc3c1c(ccc3)NCC1SCCCS1)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:
775.437g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
776.179g/mol
Monoisotopic Mass:
775.437g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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