CAS 86-01-1 Guanosine Triphosphate (HCID 135398633)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 86-01-1
Standard-SMILES: Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIKey: XKMLYUALXHKNFT-UUOKFMHZSA-N
Summenformel: C10H16N5O14P3
Durchschnittliche Molmasse: 523,18 g/mol
Monoisotopische Masse: 522,99066008

Überblick

GTP is a purine ribonucleoside 5'-triphosphate and a guanosine 5'-phosphate. It has a role as an uncoupling protein inhibitor, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a GTP(3-).

Namen und Bezeichner

Bevorzugter Name: Guanosine Triphosphate
IUPAC: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Lokaler Name: Guanosin-5'-(tetrahydrogentriphosphat)
Englischer Name: guanosine 5'-(tetrahydrogen triphosphate)
Summenformel: C10H16N5O14P3
Molmasse: 523.18

Namen und Synonyme

GUANOSINE TRIPHOSPHATEGuanosine-5'-triphosphate86-01-1guanosine 5'-triphosphateGuanosine 5'-(tetrahydrogen triphosphate)5'-GTPGuanosine 5'-triphosphoric acidDTXSID3023532801WV7J708XCHEBI:15996Triphosphate, Guanosine({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Weitere Namen anzeigen

pppGGuo-5'-P3GTP .Free AcidD-Guanosine5'-triphosphateGuanosine triphosphate，GTP-(tetrahydrogen triphosphate)guanosine triphosphate (-Na2)

[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate(((((((2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid(((2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate((2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphateRefChem:144693DTXCID30157819(((2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -5,7
Polarare Oberfläche (TPSA): 295 Å²
H-Brücken-Donoren: 8
H-Brücken-Akzeptoren: 16
Frei drehbare Bindungen: 8
Schwere Atome: 32
Formalladung: 0
Komplexität: 927

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

Collision Cross Section · 2 Einträge

196 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]

184.2 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Physikochemische Eigenschaften

Dichte: 2.75 · 2.75±0.1 g/cm3(Predicted)
Löslichkeit: Soluble (water)
Aggregatzustand: Liquid
pka: 3 · pK3:3.0(-2);pk5:7.10(-3);pK6:9.3(-4) (25°C,μ=0.1)
Farbe: Colorless to light yellow
PH: 7 · 7.0 ± 0.1
Major Application: pharmaceutical
InChIKey: XKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsNeuron

Cellular LocationsCytoplasm

Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency

Anwendungen

VerwendenGuanosine 5''-Triphosphate is used in studying the mechanism of action of selected nucleotide analogs. It is used in the screening or evaluating nucleotide-based drugs targeting SARS-CoV-2 RdRp.