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679437-95-7 | 12-Phosphahexaspiro[2.0.0.0.2.0.2.0.1.0.2.0]pentadecane, 12-phenyl-
CAS No: 679437-95-7 Catalog No: AG006HKH MDL No:
Product Description
Catalog Number:
AG006HKH
Chemical Name:
12-Phosphahexaspiro[2.0.0.0.2.0.2.0.1.0.2.0]pentadecane, 12-phenyl-
CAS Number:
679437-95-7
Molecular Formula:
C58H81P
Molecular Weight:
809.2375
IUPAC Name:
2,2-bis[3,3-bis(2,2-dicyclopropylcyclobutyl)cyclopentyl]-1-phenylphosphirane
InChI:
InChI=1S/C58H81P/c1-2-4-47(5-3-1)59-36-58(59,45-22-28-52(34-45,48-24-30-54(48,37-6-7-37)38-8-9-38)49-25-31-55(49,39-10-11-39)40-12-13-40)46-23-29-53(35-46,50-26-32-56(50,41-14-15-41)42-16-17-42)51-27-33-57(51,43-18-19-43)44-20-21-44/h1-5,37-46,48-51H,6-36H2
InChI Key:
CQWUCVVMCUEJOC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P1CC1(C1CCC(C1)(C1CCC1(C1CC1)C1CC1)C1CCC1(C1CC1)C1CC1)C1CCC(C1)(C1CCC1(C1CC1)C1CC1)C1CCC1(C1CC1)C1CC1
Properties
Complexity:
1470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
808.608g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
809.26g/mol
Monoisotopic Mass:
808.608g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
17.8
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