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M7GpppUmpG

CAT: 0931-T74478-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74478-01Size:5 mg
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CAS Number
2638447-87-5
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
M7GpppUmpG, an oligonucleotide and a trinucleotide cap analogue of M 7 GpppNpG, serves as a chemical tool for the production of RNA with either cap 0 or cap 1 structures [1].
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(=O)[nH]c1=O
Molecular Formula
C31H42N12O26P4
Molecular Weight
1122.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

m7GpppUmpG
CAS Number2638447-87-5
PubChem CID164886592
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-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate
Molecular FormulaC31H42N12O26P4
Molecular Weight1122.6
XLogP-11.2
Topological Polar Surface Area536
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count29
Rotatable Bond Count19
Heavy Atom Count73
Formal Charge0
Complexity2470
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(=O)NC5=O)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/C31H42N12O26P4/c1-40-9-43(23-15(40)25(50)39-30(33)37-23)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)41-4-3-13(44)35-31(41)51)67-70(52,53)61-5-10-16(45)18(47)26(64-10)42-8-34-14-22(42)36-29(32)38-24(14)49/h3-4,8-12,16-21,26-28,45-48H,5-7H2,1-2H3,(H10-,32,33,35,36,37,38,39,44,49,50,51,52,53,54,55,56,57,58,59)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,26-,27-,28-/m1/s1
InChIKey
MEMOMTIQEVMCHS-LFTIVBHHSA-N
Chemical Structure
2D Structure
2D structure of m7GpppUmpG
CAS: 2638447-87-5
CID: 164886592
Formula: C31H42N12O26P4
MW: 1122.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1122.6
XLogP3-11.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count29
Rotatable Bond Count19
Exact Mass1122.12836748
Monoisotopic Mass1122.12836748
Topological Polar Surface Area536 Ų
Heavy Atom Count73
Formal Charge0
Complexity2470
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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