Deoxyadenosine

2-DEOXYADENOSINE MONOHYDRATE · 2′-Da · Adenyldeoxy · 2'-Deoxyadenosine mo · ADENINE DEOXYRIBOSIDE · 2'-DEOXYADENOSINE:H2O · DEOXYADENOSINE HYDRATE · 2'-Deoxy-adenosine ,98%

https://huagongshe.com/de/chemical/13730

Identifikatoren & physikalische Daten

CAS No.	16373-93-6
Summenformel	C10H13N5O3
Durchschnittliche Molmasse	251,24 g/mol
Monoisotopische Masse	251,10183928 g/mol
SMILES	Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey	OLXZPDWKRNYJJZ-RRKCRQDMSA-N
PubChem CID	13730
ChEMBL	CHEMBL449329
ChEBI	CHEBI:17256
EC No.	213-488-7
DTXSID	DTXSID10883624

Chemische & physikalische Eigenschaften

XLogP	-0,5
Polarare Oberfläche (TPSA)	119
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	2
Schwere Atome	18
Formalladung	0
Komplexität	307
Stoffklassen	Biological Agents -> Nucleic Acids and Derivatives
SpringerMaterials Properties	Angular frequency
LogP (Verteilungskoeffizient)	-0.55-0.68
Schmelzpunkt	189 °C187-189 °C
Physical Description	White odorless crystals[La-Mar-Ka MSDS]Solid
Collision Cross Section	152.3 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]154.6 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]160.57 Å² [M-H]- [CCS Type: DTMethod: stepped-field]151.59 Å² [M+H]+ [CCS Type: TW155.3 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]158.2 Å² [M+H]+
Brechungsindex	-25.5 ° (C=0.5, H2O)
Lagerbedingungen	2-8°C
Löslichkeit	H2O: soluble50mg/mL, clear, colorless0.3 g/100 mL (20 ºC)
Aggregatzustand	powder
Farbe	White to light beige
Biologische Quelle	synthetic (organic)
BRN	5191174
Stabilität	Stable, but air sensitive. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen	HAIR CONDITIONING
InChI	InChI=1/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)1H2/t5-,6+,7+/s3
InChIKey	WZJWHIMNXWKNTO-VWZUFWLJSA-N
SMILES	NC1=NC=NC2N([C@H]3C[C@H](O)[C@@H](CO)O3)C=NC1=2.O \|&1:7,9,11,r\|
CAS Datenbank	16373-93-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.Warning
Regulatorische Informationen	Adenosine, 2'-deoxy-: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Intraperitoneal LD50 (rat) > 800 mg/kg[RTECS]
Hazard Classes and Categories	Skin Irrit. 2 (75%)Acute Tox. 3 (100%)
Gesundheitliche Auswirkungen	Chronically high levels of deoxyadenosine are associated Adenosine Deaminase Deficiency.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
F	10-23
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	Yes
UN-Transportnummer	UN2811 6.1/PG 3
Zollcode	29349990
RTECS-Nr.	AU7358600
R-Sätze (R)	22-36/37/38-20/21/22
Gefahrensymbole	Xn,Xi
Sicherheitshinweise (S)	24/25-37/39-36-26
Gefahrenklasse	6.1
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2'-Deoxyadenosine monohydrate is used in the synthesis of 5'-modified 2'-deoxyadenosine analogues as anti-hepatitis C virus agents.