CAS 3056-18-6 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine (HCID 10253027)

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Grundinformationen

CAS: 3056-18-6
Standard-SMILES: CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: PYXZXWLFAMZVPY-SDBHATRESA-N
Summenformel: C16H16Cl2N4O7
Durchschnittliche Molmasse: 447,2 g/mol

Namen und Bezeichner

Bevorzugter Name: 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine
IUPAC: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methyl acetate

Namen und Synonyme

2,6-Dichloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purineRefChem:445431805-567-53056-18-6(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2,6-dichloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate2,6-Dichloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purineMFCD020931019H-Purine, 2,6-dichloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9-[2,3,5-Tri-O-acetyl-beta-D-ribofuranosyl]-2,6-dichloropurine[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,6-dichloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methyl acetateC16H16Cl2N4O7

Weitere Namen anzeigen

9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-2,6-dichloropurineNSC 767632,6-Dichloro-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purineorb1907726SCHEMBL3770300SCHEMBL29609278TNU1278PYXZXWLFAMZVPY-SDBHATRESA-N

Datenbank-Bezeichner

CAS

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 1,5
Polarare Oberfläche (TPSA): 132 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 8
Schwere Atome: 29
Formalladung: 0
Komplexität: 657

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.