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M7GpppCmpG

CAT: 0013-GTR19221197-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221197-02Size:50 mg
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Description
This trinucleotide cap analog, m7GpppCmpG, is a key reagent for synthesizing RNA with precise cap 0 or cap 1 structures. It is essential for mRNA vaccine research, studying translation efficiency, and investigating innate immune responses in both in vitro and in vivo experimental systems.
CAS Number
2089461-56-1
Field of Research
Cell Biology, Molecular Biology
Smiles
CO[C@@H]1[C@H] (OP (O) (=O) OC[C@H]2O[C@H] ([C@H] (O) [C@@H]2O) n2cnc3c2[nH]c (N) nc3=O) [C@@H] (COP (O) (=O) OP (O) (=O) OP ([O-]) (=O) OC[C@H]2O[C@H] ([C@H] (O) [C@@H]2O) n2c[n+] (C) c3c2[nH]c (N) nc3=O) O[C@H]1n1ccc (N) nc1=O
Molecular Formula
C31H43N13O25P4
Molecular Weight
1121.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

m7GpppCmpG
CAS Number2089461-56-1
PubChem CID164886598
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[[(2R,3R,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate
Molecular FormulaC31H43N13O25P4
Molecular Weight1121.6
XLogP-11.6
Topological Polar Surface Area546
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count28
Rotatable Bond Count19
Heavy Atom Count73
Formal Charge0
Complexity2490
SMILES
CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)OC)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)O)O)O)O
InChI
InChI=1S/C31H43N13O25P4/c1-41-9-44(23-15(41)25(50)40-30(34)38-23)27-19(48)17(46)11(65-27)6-62-71(54,55)68-73(58,59)69-72(56,57)63-7-12-20(21(60-2)28(66-12)42-4-3-13(32)36-31(42)51)67-70(52,53)61-5-10-16(45)18(47)26(64-10)43-8-35-14-22(43)37-29(33)39-24(14)49/h3-4,8-12,16-21,26-28,45-48H,5-7H2,1-2H3,(H11-,32,33,34,36,37,38,39,40,49,50,51,52,53,54,55,56,57,58,59)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,26-,27-,28-/m1/s1
InChIKey
GYMXHCGBIYDECO-LFTIVBHHSA-N
Chemical Structure
2D Structure
2D structure of m7GpppCmpG
CAS: 2089461-56-1
CID: 164886598
Formula: C31H43N13O25P4
MW: 1121.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1121.6
XLogP3-11.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count28
Rotatable Bond Count19
Exact Mass1121.14435190
Monoisotopic Mass1121.14435190
Topological Polar Surface Area546 Ų
Heavy Atom Count73
Formal Charge0
Complexity2490
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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