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Deoxythymidine-5'-triphosphate-d15

CAT: 0931-T211806-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211806-01Size:10 mg
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CAS Number
2687960-74-1
Target
Others, DNA/RNA Synthesis, Endogenous Metabolite, Nucleoside Antimetabolite/Analog
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Metabolism
Bioactivity
Deoxythymidine-5'-triphosphate-d15 (dTTP-d15) dilithium is a deuterium-labeled form of deoxythymidine-5'-triphosphate. Deoxythymidine-5'-triphosphate (dTTP) is a triphosphate nucleotide utilized in DNA synthesis.
Smiles
O=C1N(C([2H])=C(C(N1[2H])=O)C([2H])([2H])[2H])[C@]2([2H])O[C@]([C@@](C2([2H])[2H])([2H])O[2H])([2H])C([2H])([2H])OP(OP(OP(O[2H])([O-])=O)([O-])=O)(O[2H])=O.[Li+].[Li+]
Molecular Formula
C10H15Li2N2O14P3
Molecular Weight
509.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

dilithium;deuterio [[deuteriooxy-[dideuterio-[(2R,3S,5R)-2,3,4,4,5-pentadeuterio-3-deuteriooxy-5-[3,6-dideuterio-2,4-dioxo-5-(trideuteriomethyl)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]oxy-oxidophosphoryl] phosphate
CAS Number2687960-74-1
PubChem CID178203383
IUPAC Namedilithium;deuterio [[deuteriooxy-[dideuterio-[(2R,3S,5R)-2,3,4,4,5-pentadeuterio-3-deuteriooxy-5-[3,6-dideuterio-2,4-dioxo-5-(trideuteriomethyl)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC10H15Li2N2O14P3
Molecular Weight509.2
Topological Polar Surface Area244
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity842
SMILES
[2H]C1=C(C(=O)N(C(=O)N1[C@]2(C([C@]([C@@](O2)([2H])C([2H])([2H])OP(=O)(O[2H])OP(=O)([O-])OP(=O)([O-])O[2H])([2H])O[2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H].[Li+].[Li+]
InChI
InChI=1S/C10H17N2O14P3.2Li/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t6-,7+,8+;;/m0../s1/i1D3,2D2,3D,4D2,6D,7D,8D,13D;;/hD3
InChIKey
HGQGGFXJPYJQGW-JGGRBRDRSA-L
Chemical Structure
2D Structure
2D structure of dilithium;deuterio [[deuteriooxy-[dideuterio-[(2R,3S,5R)-2,3,4,4,5-pentadeuterio-3-deuteriooxy-5-[3,6-dideuterio-2,4-dioxo-5-(trideuteriomethyl)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]oxy-oxidophosphoryl] phosphate
CAS: 2687960-74-1
CID: 178203383
Formula: C10H15Li2N2O14P3
MW: 509.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight509.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass509.0997722
Monoisotopic Mass509.0997722
Topological Polar Surface Area244 Ų
Heavy Atom Count31
Formal Charge0
Complexity842
Isotope Atom Count15
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes