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Deoxythymidine-5'-triphosphate-d15 (dilithium)

CAT: 0804-HY-138615S5Size: 1 mg (100 mM in 19.64 μL Tris HCl/D2O buffer pH=7.5)Dry Ice: NoHazardous: No
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CAT#:0804-HY-138615S5Size:1 mg (100 mM in 19.64 μL Tris HCl/D2O buffer pH=7.5)
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Description
Deoxythymidine-5'-triphosphate-d15 (dTTP-d15) dilithium is the deuterium labeled Deoxythymidine-5'-triphosphate. Deoxythymidine-5'-triphosphate (dTTP) is one of the four nucleoside triphosphates. Deoxythymidine-5'-triphosphate (dTTP) is used in the synthesis of DNA[1].
CAS Number
2687960-74-1
Product Name Alternative
DTTP-d15 (dilithium)
UNSPSC
12352005
Target
DNA/RNA Synthesis; Endogenous Metabolite; Isotope-Labeled Compounds; Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others
Field of Research
Cancer; Infection
Concentration
100 mM in 19.64 μL Tris HCl/D2O buffer pH=7.5
Purity
97.1
Smiles
O=C(C(C([2H])([2H])[2H])=C([2H])N1[C@@]2([2H])C([2H])([2H])[C@@]([2H])(O[2H])[C@](C([2H])([2H])OP(OP(OP(O[2H])(O[Li])=O)(O[Li])=O)(O[2H])=O)([2H])O2)N([2H])C1=O
Molecular Formula
C10D15Li2N2O14P3
Molecular Weight
509.13
References & Citations
[1]Tattersall MH, et al. Deoxyribonucleoside triphosphates in human cells: changes in disease and following exposure to drugs. Eur J Clin Invest. 1975;5 (2) :191-202.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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

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