dCTP
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Basic information
- CAS
2056-98-6- 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
Properties
Computed structural propertiesFilling in
- XLogP
- -5.6
- Topological polar surface area
- 248 Ų
- 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 Ų [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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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.
Additional notes
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-).
Related reactions
41 records
Compound notes
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