CAS 32384-65-9 (3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on (HCID 10994280)

基本情報

CAS: 32384-65-9
標準SMILES: C[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIKey: VNGTZLYNGGLPIZ-WCXIOVBPSA-N
分子式: C18H42O6Si4
平均分子量: 466.9 g/mol
単同位体質量: 466.20584518

名称と識別子

優先名称: (3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
IUPAC: (3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
現地名: (3R,4S,5R,6R)-3,4,5-トリス((トリメチルシリル)オキシ)-6-(((トリメチルシリル)オキシ)メチル)テトラヒドロ-2H-ピラン-2-オン
英語名: 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone
分子式: C18H42O6Si4
分子量: 466.87

名称と別名

2,3,4,6-tetrakis-o-trimethylsilyl-d-gluconolactoneEC 608-732-8(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-ONRefChem:401087608-732-832384-65-9(3R,4S,5R,6R)-3,4,5-Tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)tetrahydro-2H-pyran-2-oneMFCD226659222,3,4,6-Tetra-O-(trimethylsilyl)-D-glucono-delta-lactone(3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-oneCanagliflozin Impurity 53

名称をさらに表示

(3R,4S,5R,6R)-3,4,5-トリス((トリメチルシリル)オキシ)-6-(((トリメチルシリル)オキシ)メチル)テトラヒドロ-2H-ピラン-2-オン(3R,4S,5R,6R)-3,4,5-Tris[(trimethylsilyl)oxy]-6-[[(trimethylsilyl)oxy]methyl]tetrahydropyran-2-oneDagliptin Impurityoxy)-6-((triMethyLCagliflozin Impurity 9EnglitazinintermediateDapagliflozin Impurity 12

物性

構造計算による物性

極性表面積: 63.2 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 9
重原子数: 28
形式電荷: 0
複雑度: 530

物理化学的性質

沸点: 417 ℃ · 417℃
比重(密度): 0.97 · 0.97
闪点: 171 ℃ · 171℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム（適量）、酢酸エチル（微量）、メタノール（微量）
外見: 油
色: 無色～淡黄色
安定性: Moisture Sensitive
InChI: InChI=1/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/s3
InChIKey: VNGTZLYNGGLPIZ-NELUYGJANA-N
SMILES: O([C@@H]1[C@H](C(=O)O[C@H](CO[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C |&1:1,2,6,13,r|

化学的性質

化学的特性Pale yellow oil

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H400 (77.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 19-01-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6124

Hazard Classes and CategoriesAquatic Acute 1 (77.8%)

安全データ

hs_code: 2931900090

化学と産業

応用分野 · 1 件

使用2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone is an antidiabetic agent and an intermediate of Dapagliflozin (D185370). 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone acts as a reagent in the synthesis of trans-cyclohexane-bearing C-glucose as sodium glucose co-transporter 2 inhibitors.