dTTP

HCID 64968

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Basic information

CAS: 365-08-2
Standard SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
InChIKey: NHVNXKFIZYSCEB-XLPZGREQSA-N
Molecular formula: C10H17N2O14P3
Average molar mass: 482.17 g/mol
Monoisotopic mass: 481.98926311

Overview

DTTP is a thymidine phosphate having a triphosphate group at the 5'-position. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a thymidine phosphate and a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dTTP(3-).

Names & identifiers

Preferred name: dTTP
IUPAC: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
English name: thymidine 5'-(tetrahydrogen triphosphate)
Molecular formula: C10H17N2O14P3
Molecular weight: 482.17

Names & synonyms

dTTP365-08-2thymidine 5'-triphosphateDeoxy-TTP2'-Deoxythymidine triphosphate5'-TTPthymidine triphosphateDeoxythymidine 5'-triphosphateTTP (nucleotide)pppdTQOP4K539MUCHEBI:18077

Show more names

dTTPS5-Methyl-dUTPdTTP.Free AcidThymidine Impurity 5dTTP 100mM Sodium Solution2'-Deoxythymidine triposphateDeoxythymidine-5'-triphosphateThymidine-5'-Triphosphoric Acid

DTXSID30189998RefChem:898076DTXCID901124892'-deoxythymidine-5'-triphosphate((hydroxy(((hydroxy((((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl)methoxy))phosphoryl)oxy))phosphoryl)oxy)phosphonic acid206-669-7THYMIDINE-5'-TRIPHOSPHATEthymidine 5'-(tetrahydrogen triphosphate)

Database identifiers

CAS: 365-08-2
PubChem CID: 64968
DTXSID: DTXSID30189998
ChEMBL: CHEMBL363559
ChEBI: CHEBI:18077
UNII: QOP4K539MU
EC Number: 206-669-7
Nikkaji: J193.870C

Properties

Computed structural properties

XLogP: -5
Topological polar surface area: 239 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 14
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 853

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical Description · 2 items

Odorless solid; [GE Healthcare MSDS]

Solid

Collision Cross Section207.41 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

Physicochemical properties

storage temp.: 2 · 2-8°C
Density: 1.922 · 1.922±0.06 g/cm3(Predicted)
pka: 0.8 · 0.80±0.50(Predicted)
form: Liquid
color: Colorless to light yellow
EWG's Food Scores: 1 · 1
FDA UNII: 4 K539MU · QOP4K539MU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

Hazard information

Hazards SummaryMay cause mucous membrane and upper respiratory tract injury, based on animal studies; [GE Healthcare MSDS]

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsMitochondria

Metabolite PathwaysBeta Ureidopropionase Deficiency

Uses & manufacturing

UsesUsed in analytical chemistry and research; [GE Healthcare MSDS]

Applications · 1 item

UsesDeoxythymidine-5'-triphosphate-13C10 (dTTP-13C10) dilithium is 13C-labeled Deoxythymidine-5'-triphosphate (HY-138615). Deoxythymidine-5'-triphosphate (dTTP) is one of the four nucleoside triphosphates. Deoxythymidine-5'-triphosphate (dTTP) is used in the synthesis of DNA.

Suppliers21 total

成都彼样生物科技有限公司18108052721 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Protheragen-ING+86-15618352007 · [email protected]

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

上海沛诺生物技术有限公司021-58648778 18217200601;15861463695 · [email protected]

Additional notes · 1 item

DefinitionChEBI: DTTP is a thymidine phosphate having a triphosphate group at the 5'-position. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate and a thymidine phosphate. It is a conjugate acid of a dTTP(3-).