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Deoxythymidine triphosphate

CAT: 0013-GTR19163416-02Size: 1 gDry Ice: NoHazardous: No
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Description
Deoxythymidine triphosphate (dTTP) is one of the four nucleoside triphosphates that are used in the in vivo synthesis of DNA. Unlike the other deoxyribonucleotide triphosphates, thymidine triphosphate does not contain the "deoxy" prefix in its name.
CAS Number
18423-43-3
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
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+]
Molecular Formula
C10H17N2O13P3
Molecular Weight
466.17
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

thymidine 5'-triphosphate sodium salt

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

CAS Number18423-43-3
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: 18423-43-3
CID: 5311491
Formula: C10H14N2Na3O14P3
MW: 548.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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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