Home Other Building Blocks Sodium 2,4,8,10-Tetra-tert-butyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-olate 6-Oxide

Sodium 2,4,8,10-Tetra-tert-butyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-olate 6-Oxide

CAS No.:
85209-91-2
Catalog Number:
AG0039AJ
Molecular Formula:
C29H43NaO4P+
Molecular Weight:
509.6129
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Product Description
Catalog Number:
AG0039AJ
Chemical Name:
Sodium 2,4,8,10-Tetra-tert-butyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-olate 6-Oxide
CAS Number:
85209-91-2
Molecular Formula:
C29H43NaO4P+
Molecular Weight:
509.6129
MDL Number:
MFCD01748150
IUPAC Name:
sodium;1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
InChI:
InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1/p-1
InChI Key:
ZHROMWXOTYBIMF-UHFFFAOYSA-M
SMILES:
OP1(=O)Oc2c(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C.[Na+]
EC Number:
286-344-4
UNII:
8TKR21D5OL
Properties
Complexity:
710  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.272g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.615g/mol
Monoisotopic Mass:
508.272g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties