Cytidin-5'-(tetrahydrogen-triphosphat), 2'-Deoxy-

dCTP

HCID 65091CAS 2056-98-6

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

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

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

Anbieter45 Anbieter

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