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89243-87-8 | 1,6-Hexanediol, 1,1,6,6-tetrakis(diphenylphosphinyl)-
CAS No: 89243-87-8 Catalog No: AG0042NL MDL No:
Product Description
Catalog Number:
AG0042NL
Chemical Name:
1,6-Hexanediol, 1,1,6,6-tetrakis(diphenylphosphinyl)-
CAS Number:
89243-87-8
Molecular Formula:
C54H50O6P4
Molecular Weight:
918.8662
IUPAC Name:
1,1,6,6-tetrakis(diphenylphosphoryl)hexane-1,6-diol
InChI:
InChI=1S/C54H50O6P4/c55-53(61(57,45-27-9-1-10-28-45)46-29-11-2-12-30-46,62(58,47-31-13-3-14-32-47)48-33-15-4-16-34-48)43-25-26-44-54(56,63(59,49-35-17-5-18-36-49)50-37-19-6-20-38-50)64(60,51-39-21-7-22-40-51)52-41-23-8-24-42-52/h1-24,27-42,55-56H,25-26,43-44H2
InChI Key:
MFRJPISRGFLZEX-UHFFFAOYSA-N
SMILES:
OC(P(=O)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)CCCCC(P(=O)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
918.256g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
918.883g/mol
Monoisotopic Mass:
918.256g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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