{[hydroxy({[hydroxy({[3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid sodium

• ChemBase ID: 132813
• Molecular Formular: C10H17N2NaO14P3
• Molecular Mass: 505.158033
• Monoisotopic Mass: 504.97903241
• SMILES: Cc1cn(c(=O)[nH]c1=O)C1CC(C(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.[Na]
• Canonical SMILES: OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O.[Na]
• InChI: InChI=1S/C10H17N2O14P3.Na/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)
• InChIKey: NJAHVUZWRMSTFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[hydroxy({[hydroxy({[3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid sodium
• IUPAC Traditional name: sodium thymidine triphosphate
• Synonyms: dTTP; Thymidine 5′-triphosphate sodium salt; TTP; Thymidine 5′-triphosphate sodium salt solution; 胸腺嘧啶核苷5′-三磷酸 钠盐; 胸腺嘧啶核苷5′-三磷酸 钠盐 溶液

Database IDs

• CAS Number: 18423-43-3
• MDL Number: MFCD00080338
• PubChem SID: 24899873; 162227090; 24900595
• PubChem CID: 16072222

CALCULATED PROPERTIES

• Acid pKa: 0.8952836
• H Acceptors: 11
• H Donor: 6
• LogD (pH = 5.5): -8.763006
• LogD (pH = 7.4): -9.497667
• Log P: -2.0862167
• Molar Refractivity: 88.0307 cm^3
• Polarizability: 36.15249 Å^3
• Polar Surface Area: 238.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥96%; ≥99%
• Concentration: 100 mM in H2O
• Foreign Activity: DNase, RNase, none detected
• Shipped in: dry ice

DETAILS

Sigma Aldrich - T0251

Application
Thymidine 5′-triphosphate (dTTP) is one of the four natural deoxynucleotides, along with deoxyadenosine 5’-triphosphate (dATP), deoxyguanosine 5’-triphosphate (dGTP) and deoxycytosine 5’-triphosphate (dCTP) used for the biosynthesis of deoxyribonucleic acids by DNA polymerases and reverse transcriptases. Deoxy-TTP may also be used as a substrate to study the specificity and kinetics of thymidine-triphosphatase(s) (EC 3.6.1.39) and other dTTP hydrolyzing activities.

Sigma Aldrich - T9656

General description
Thymidine 5′-triphosphate sodium salt solution is used in DNA synthesis reactions such as PCR, DNA sequencing, cDNA synthesis and molecular cloning techniques.