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85586-51-2 | 4,4'-[2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE-3,9-DIYLBIS[OXY[3-TERT-BUTYL-4,1-PHENYLENE]ISOPROPYLIDENE]]BIS[2-TERT-BUTYLPHENOL]
CAS No: 85586-51-2 Catalog No: AG004QI3 MDL No:
Product Description
Catalog Number:
AG004QI3
Chemical Name:
4,4'-[2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE-3,9-DIYLBIS[OXY[3-TERT-BUTYL-4,1-PHENYLENE]ISOPROPYLIDENE]]BIS[2-TERT-BUTYLPHENOL]
CAS Number:
85586-51-2
Molecular Formula:
C51H70O8P2
Molecular Weight:
873.0442
IUPAC Name:
2-tert-butyl-4-[2-[3-tert-butyl-4-[[3-[2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-9-yl]oxy]phenyl]propan-2-yl]phenol
InChI:
InChI=1S/C51H70O8P2/c1-45(2,3)37-25-33(17-21-41(37)52)49(13,14)35-19-23-43(39(27-35)47(7,8)9)58-60-54-29-51(30-55-60)31-56-61(57-32-51)59-44-24-20-36(28-40(44)48(10,11)12)50(15,16)34-18-22-42(53)38(26-34)46(4,5)6/h17-28,52-53H,29-32H2,1-16H3
InChI Key:
VGKAMLULXGIVHV-UHFFFAOYSA-N
SMILES:
CC(=C1C=CC(=C(C1)C(C)(C)C)O)Cc1ccc(c(c1)C(C)(C)C)OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)CC(=C1C=CC(=C(C1)C(C)(C)C)O)C
EC Number:
287-855-5
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
872.455g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
873.061g/mol
Monoisotopic Mass:
872.455g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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