Grundinformationen
- 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- Summenformel
- C9H16N3O13P3
- Durchschnittliche Molmasse
- 467,16 g/mol
- Monoisotopische Masse
- 466,98959746
Überblick
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-).
Namen und Bezeichner
- Bevorzugter Name
- dCTP
- IUPAC
- [[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- Lokaler Name
- Cytidin-5'-(tetrahydrogen-triphosphat), 2'-Deoxy-
- Englischer Name
- Deoxycytidine triphosphate
- Summenformel
- C9H16N3O13P3
- Molmasse
- 467.16
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
2056-98-6- PubChem CID
- 65091
- DTXSID
DTXSID60942755- ChEMBL
CHEMBL560403- ChEBI
CHEBI:16311- EC Number
- 218-153-9
- Nikkaji
- J247.702E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,6
- Polarare Oberfläche (TPSA)
- 248 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 823
Experimentelle und physikochemische Eigenschaften
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)]
Physikochemische Eigenschaften
- Siedepunkt
- 811.5 · 811.5±75.0 °C(Predicted)
- Dichte
- 2.38 · 2.38±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.8 · 0.80±0.50(Predicted)
- Aggregatzustand
- Stabilized Aqueous Solution
- Farbe
- White to off-white
- Wasserlöslichkeit
- 35 mg/mL · Water : ≥ 35 mg/mL (74.92 mM)
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Metabolite PathwaysBeta Ureidopropionase Deficiency
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