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Deoxythymidine-5'-triphosphate trisodium

CAT: 0931-T9086-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T9086-01Size:10 mg
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CAS Number
27821-54-1
Target
DNA/RNA Synthesis, Endogenous Metabolite, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Metabolism
Purity
0.9977
Bioactivity
Deoxythymidine-5'-triphosphate trisodium (Deoxythymidine-5'-triphosphate (dTTP) trisodium salt) is one of the four natural deoxynucleotides. It is used for the biosynthesis of deoxyribonucleic acid by DNA polymerase and reverse transcriptase.
Smiles
O=C1N(C=C(C(N1)=O)C)[C@]2([H])O[C@@H]([C@H](C2)O)COP(OP(OP(O)(O[Na])=O)(O[Na])=O)(O[Na])=O
Molecular Formula
C10H14N2Na3O14P3
Molecular Weight
548.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

thymidine 5'-triphosphate sodium salt

See also: Thymidine 5'-(trisodium hydrogen triphosphate) (annotation moved to).

CAS Number27821-54-1
PubChem CID5311491
IUPAC Nametrisodium;[[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
Molecular FormulaC10H14N2Na3O14P3
Molecular Weight548.11
Topological Polar Surface Area247
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity834
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H17N2O14P3.3Na/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;3*+1/p-3/t6-,7+,8+;;;/m0.../s1
InChIKey
KNVJTOALWGZWAI-SPSULGLQSA-K
Chemical Structure
2D Structure
2D structure of thymidine 5'-triphosphate sodium salt
CAS: 27821-54-1
CID: 5311491
Formula: C10H14N2Na3O14P3
MW: 548.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight548.11
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass547.93509696
Monoisotopic Mass547.93509696
Topological Polar Surface Area247 Ų
Heavy Atom Count32
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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