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AD-mix-alpha

CAT: 0926-FM46539-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FM46539-02Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153130-59-7
MDL Number
MFCD00197840
Molecular Formula
C48H54N6O4• (K2CO3) x• (K2OsO4•2H2O) x• (K3Fe (CN) 6) x
Controlled
No

Chemical Information

AD-mix-a (Technical Grade)
CAS Number153130-59-7
PubChem CID171369878
Molecular FormulaC55H67FeK5N12O7
Molecular Weight1259.5
Topological Polar Surface Area287
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count25
Rotatable Bond Count13
Heavy Atom Count80
Formal Charge0
Complexity1310
SMILES
CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)O[C@@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC.[CH-]=N.[CH-]=N.[CH-]=N.[CH-]=N.[CH-]=N.[CH-]=N.C(=O)O[O-].[K].[K].[K+].[K][K].[Fe+6]
InChI
InChI=1S/C48H54N6O4.6CH2N.CH2O3.Fe.5K/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42;6*1-2;2-1-4-3;;;;;;/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3;6*1-2H;1,3H;;;;;;/q;6*-1;;+6;;;;;+1/p-1/t29-,30+,31-,32+,43-,44-,45-,46-;;;;;;;;;;;;;/m1............./s1
InChIKey
XDJHFHZVOVAZDF-AHRKCFNPSA-M
Chemical Structure
2D Structure
2D structure of AD-mix-a (Technical Grade)
CAS: 153130-59-7
CID: 171369878
Formula: C55H67FeK5N12O7
MW: 1259.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1259.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count25
Rotatable Bond Count13
Exact Mass1258.279035
Monoisotopic Mass1258.279035
Topological Polar Surface Area287 Ų
Heavy Atom Count80
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count13
Compound Is CanonicalizedYes

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