2'-Fluoro-2'-deoxyadenosine

2'-F-dA · (2R,3R,4R,5R)-5-(6-AMino-9H-purin-9-yl)-4-fluoro-2-(hydroxyMethyl)tetrahydrofuran-3-ol · 2''-Fluoro-2''-Deoxyadenosine · 2'-F-2'-dA · 2'-Fluoro-2'-dA · 2′,-F-dAdo · 2'-F-2'-deoxyadenosine · 2'-Fluoro-2'-deoxyadenosine

https://huagongshe.com/de/chemical/100253

Molekülstruktur von 2'-Fluoro-2'-deoxyadenosine

Identifikatoren & physikalische Daten

CAS No.	64183-27-3
Summenformel	C10H12FN5O3
Durchschnittliche Molmasse	269,23 g/mol
Monoisotopische Masse	269,09241746 g/mol
SMILES	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
InChIKey	ZGYYPTJWJBEXBC-QYYRPYCUSA-N
PubChem CID	100253
ChEMBL	CHEMBL309579
EC No.	814-045-6
DTXSID	DTXSID60982712

Chemische & physikalische Eigenschaften

XLogP	0
Polarare Oberfläche (TPSA)	119
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	2
Schwere Atome	19
Formalladung	0
Komplexität	338
Schmelzpunkt	228 -231°C
Siedepunkt	628.6±65.0 °C(Predicted)
Dichte	2.01±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C(protect from light)
Löslichkeit	Acetonitrile (Slightly), Methanol (Slightly, Heated)Soluble in water.
pKa (Säurekonstante)	12.60±0.70(Predicted)
Aggregatzustand	Powder
Farbe	White to Off-white
Stabilität	Hygroscopic
InChI	InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey	ZGYYPTJWJBEXBC-QYYRPYCUSA-N
SMILES	OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](F)[C@@H]1O
CAS Datenbank	64183-27-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2934999090

Anwendungen & Verwendung

Verwenden

2'-Fluoro-2'-deoxyadenosine is a potential prodrug for 2-fluroadenine, involves deoxygenation by reduction of the 2'-thiocar-bonylimidazolide with (Tms)3SiH as hydrogen donor.