dCTP

HCID 65091CAS 2056-98-6

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Basic information

Standard SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
InChIKey: RGWHQCVHVJXOKC-SHYZEUOFSA-N
Molecular formula: C9H16N3O13P3
Average molar mass: 467.16 g/mol
Monoisotopic mass: 466.98959746

Overview

DCTP is a 2'-deoxycytidine phosphate having cytosine as the nucleobase. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate and a 2'-deoxycytidine phosphate. It is a conjugate acid of a dCTP(3-).

Names & identifiers

Preferred name: dCTP
IUPAC: [[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
English name: Deoxycytidine triphosphate
Molecular formula: C9H16N3O13P3
Molecular weight: 467.16

Names & synonyms

dCTPDeoxycytidine triphosphate2056-98-62'-Deoxycytidine 5'-triphosphatedeoxy-CTPCHEBI:16311deoxycytidine-triphosphate[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate({[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid(((((((2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid(((2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphateRefChem:80292

Show more names

5'-DCTPDCTP, LI((2R,3S,5R)Deoxy-5'-CTPDCTP LI-SALT

218-153-9Deoxycytidine 5'-triphosphate2'-deoxycytidine-5'-triphosphateCytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-((2R,3S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate2'-Deoxycytidine 5'-(tetrahydrogen triphosphate)102783-51-7[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

Database identifiers

CAS: 2056-98-6
PubChem CID: 65091
DTXSID: DTXSID60942755
ChEMBL: CHEMBL560403
ChEBI: CHEBI:16311
EC Number: 218-153-9
Nikkaji: J247.702E

Properties

Computed structural properties

XLogP: -5.6
Topological polar surface area: 248 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 13
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 823

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

Collision Cross Section176.92 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physicochemical properties

Boiling point: 811.5 · 811.5±75.0 °C(Predicted)
Density: 2.38 · 2.38±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.8 · 0.80±0.50(Predicted)
form: Stabilized Aqueous Solution
color: White to off-white
Water Solubility: 35 mg/mL · Water : ≥ 35 mg/mL (74.92 mM)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

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

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Metabolite PathwaysBeta Ureidopropionase Deficiency

Applications

UsesIsotope labelled 2’-Deoxycytidine 5’-Triphosphate Triethylamine, a labelled metabolite of 2’-Deoxycytidine, a nucleoside triphosphate that is used whenever DNA is synthesized, such as in the polymerase chain reaction.

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Additional notes · 1 item

DefinitionChEBI: DCTP is a 2'-deoxycytidine phosphate having cytosine as the nucleobase. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a 2'-deoxycytidine phosphate and a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dCTP(3-).