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80693-00-1 | 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane,3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-
CAS No: 80693-00-1 Catalog No: AG005JXG MDL No:MFCD09839026
Product Description
Catalog Number:
AG005JXG
Chemical Name:
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane,3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-
CAS Number:
80693-00-1
Molecular Formula:
C35H62O10P2
Molecular Weight:
704.8083
MDL Number:
MFCD09839026
IUPAC Name:
3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
InChI:
InChI=1S/C35H54O6P2/c1-23-15-25(31(3,4)5)29(26(16-23)32(6,7)8)40-42-36-19-35(20-37-42)21-38-43(39-22-35)41-30-27(33(9,10)11)17-24(2)18-28(30)34(12,13)14/h15-18H,19-22H2,1-14H3
InChI Key:
SSADPHQCUURWSW-UHFFFAOYSA-N
SMILES:
OP(O)O.OP(O)O.OCC(C(c1c(cc(cc1C(C)(C)C)C)C(C)(C)C)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(CO)CO
UNII:
7SWK0D7KBU
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
632.34g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.759g/mol
Monoisotopic Mass:
632.34g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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