Home Other Building Blocks 1,1'-[(5aS,8aS,14aS)-5a,6,7,8,8a,9-Hexahydro-5H-[1]benzopyrano[3,2-d]xanthene-1,13-diyl]bis[1,1-bis(3,5-dimethylphenyl)phosphine

1,1'-[(5aS,8aS,14aS)-5a,6,7,8,8a,9-Hexahydro-5H-[1]benzopyrano[3,2-d]xanthene-1,13-diyl]bis[1,1-bis(3,5-dimethylphenyl)phosphine

CAS No.:
1429939-35-4
Catalog Number:
AG0039PF
Molecular Formula:
C52H54O2P2
Molecular Weight:
772.9315
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Product Description
Catalog Number:
AG0039PF
Chemical Name:
1,1'-[(5aS,8aS,14aS)-5a,6,7,8,8a,9-Hexahydro-5H-[1]benzopyrano[3,2-d]xanthene-1,13-diyl]bis[1,1-bis(3,5-dimethylphenyl)phosphine
CAS Number:
1429939-35-4
Molecular Formula:
C52H54O2P2
Molecular Weight:
772.9315
MDL Number:
MFCD25372934
IUPAC Name:
[20-bis(3,5-dimethylphenyl)phosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-bis(3,5-dimethylphenyl)phosphane
InChI:
InChI=1S/C52H54O2P2/c1-32-18-33(2)23-44(22-32)55(45-24-34(3)19-35(4)25-45)48-16-9-12-40-30-42-14-11-15-43-31-41-13-10-17-49(51(41)54-52(42,43)53-50(40)48)56(46-26-36(5)20-37(6)27-46)47-28-38(7)21-39(8)29-47/h9-10,12-13,16-29,42-43H,11,14-15,30-31H2,1-8H3
InChI Key:
IYNVDHXMWJJRHM-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)P(c1cccc2c1OC13Oc4c(CC3CCCC1C2)cccc4P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)c1cc(C)cc(c1)C
Properties
Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
772.36g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
772.95g/mol
Monoisotopic Mass:
772.36g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4  
Properties