2-Chloroadenosine

HCID 8974CAS 103090-47-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: BIXYYZIIJIXVFW-UUOKFMHZSA-N
分子式: C10H12ClN5O4
平均分子量: 301.69 g/mol
単同位体質量: 301.05778154

概要

(2R,3R,4S,5R)-2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.

名称と識別子

優先名称: 2-Chloroadenosine
IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
英語名: 5-chloroformycin A
分子式: C10H12ClN5O4
分子量: 301.68638

名称と別名

2-Chloroadenosine146-77-0ADENOSINE, 2-CHLORO-2-Chloroadenosinehemihydrate2 Chloroadenosine7W7ZUG45G8DTXSID301017134(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolNSC-36896RefChem:470363DTXCID301475316205-678-3

名称をさらに表示

6-Amino-2-chloropurine ribosideCADO5-Chloroformycin AMFCD000057342-Chloro Adenosine(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolEINECS 205-678-32-CADO

データベース識別子

CAS: 103090-47-7、146-77-0
PubChem CID: 8974
DTXSID: DTXSID301017134
ChEMBL: CHEMBL285819
ChEBI: CHEBI:125640
UNII: 7W7ZUG45G8
EC Number: 205-678-3
Nikkaji: J86.653I

物性

構造計算による物性

XLogP: -0.1
極性表面積: 140 Å²
水素結合供与体数: 4
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 367

実験および物理化学的性質

Solubility>45.3 [ug/mL] (The mean of the results at pH 7.4)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.