メチルβ-D-リボフラノシド

Methyl beta-D-ribofuranoside

HCID 81983CAS 7473-45-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: NALRCAPFICWVAQ-KVTDHHQDSA-N
分子式: C6H12O5
平均分子量: 164.16 g/mol
単同位体質量: 164.06847348

名称と識別子

優先名称: Methyl beta-D-ribofuranoside
IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
現地名: メチルβ-D-リボフラノシド
英語名: Methyl beta-D-ribofuranoside
分子式: C6H12O5
分子量: 164.16

名称と別名

Methyl beta-D-ribofuranoside7473-45-2EINECS 231-271-5NSC 400285Methyl .beta.-D-ribofuranosideRefChem:157803231-271-5Methyl b-D-Ribofuranosidemethyl |A-d-ribofuranosideMFCD00047075methyl -d-ribofuranoside(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxytetrahydrofuran-3,4-diol

名称をさらに表示

メチルβ-D-リボフラノシド1-O-メチル-β-D-リボフラノース(2R,3S,4R,5R)-2-(ヒドロキシメチル)-5-メトキシオキソラン-3,4-ジオールMethyl β-D-RibofuranosideMethyl β-Xylobioside-Amino-β-Resorcylate1-ME-D-Ribose1-OME-BETA-D-RIB-D-Altropyranoside

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diolMethyl ?-D-Ribofuranoside(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-methoxy-tetrahydrofuran-3,4-diolSCHEMBL271445Methyl beta-D-ribofuranoside, 97%AKOS006344687MS-20513Methyl pentofuranoside #

データベース識別子

CAS: 7473-45-2
PubChem CID: 81983
DTXSID: DTXSID301312174
EC Number: 231-271-5
Nikkaji: J278.878K

物性

構造計算による物性

XLogP: -1.6
極性表面積: 79.2 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 128

物理化学的性質

融点: 78 °C · 78 °C
沸点: 348.7 · 348.7±42.0 °C(Predicted)
比重(密度): 1.4 · 1.40±0.1 g/cm3(Predicted)
屈折率: -51 ° · -51 ° (C=2, H2O)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: メタノール（わずかに）、水（わずかに、超音波処理）
酸解離定数(Pka): 13.14 · 13.14±0.70(Predicted)
外見: 粉
色: ホワイトからオフホワイト
水溶解度: 水に溶ける
InChI: InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5-,6-/s3
InChIKey: NALRCAPFICWVAQ-QNEKUJPYNA-N
SMILES: [C@H]1(CO)O[C@@H](OC)[C@H](O)[C@@H]1O |&1:0,4,7,9,r|
CAS データベース: 7473 · 7473-45-2(CAS DataBase Reference)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information.beta.-D-Ribofuranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

法規制情報

Regulatory Information.beta.-D-Ribofuranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
hs_code: 29329990
safety_code: 24/25

化学と産業

応用分野

用途有機合成試薬。

使用D-Ribose was converted into methyl 5-O-benzyl-beta-D-ribofuranoside and this, on tin-mediated allylation, gave a mixture of the 2-O-allyl and 3-O-allyl derivatives which were separated by chromatography.