トレハロース
Trehalose
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基本情報
- CAS
99-20-7- 標準SMILES
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
HDTRYLNUVZCQOY-LIZSDCNHSA-N- 分子式
- C12H22O11
- 平均分子量
- 342.3 g/mol
- 単同位体質量
- 342.11621152
概要
Alpha,alpha-trehalose is a trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. It has a role as a geroprotector, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite.
名称と識別子
- 優先名称
- Trehalose
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
- 現地名
- トレハロース
- 英語名
- Trehalose
- 分子式
- C12H22O11
- 分子量
- 342.3
名称と別名
trehalose99-20-7D-(+)-TrehaloseMycosealpha,alpha-trehaloseErgot sugaralpha-D-TrehaloseCabalettaMushroom sugarNatural trehalosealpha-D-glucopyranosyl-alpha-D-glucopyranosidealpha,alpha'-Trehalose
名称をさらに表示
D-(+)-トレハロース (無水)α,α-トレハロースミコース2,2'-オキシビス[(2R)-3α,4β,5α-トリヒドロキシ-6β-[ヒドロキシメチル]テトラヒドロ-2H-ピラン]α-D-グルコピラノシルα-D-グルコピラノシド1,1'-オキシビス(1-デオキシ-α-D-グルコピラノース)D-(+)-トレハロースD-トレハロース(無水)D‐トレハロース(無水)D-トレハローストレハロースα,α-trehaloseD-TREHALOSEalpha-d-glucopyranosideTrehalose RSalpha-TrehaloseTrehalose solution
alpha-D-glucopyranosyl alpha-D-glucopyranosideCHEBI:16551B8WCK70T7INSC-2093(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triolCHEBI:27082(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-3,4,5-triol
物性
構造計算による物性補完中
- XLogP
- -4.2
- 極性表面積
- 190 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 11
- 回転可能結合数
- 4
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 348
実験および物理化学的性質
Chemical ClassesBiological Agents -> Disaccharides
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics
Cosmetic ingredients (Trehalose) -> CIR (Cosmetic Ingredient Review)
Humectant; Moisturising
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Melting Point203 °C
Physical Description
Dihydrate: Solid; [Merck Index] White or nearly white solid; [JECFA] White crystalline powder; [Acros Organics MSDS]
Solid
Collision Cross Section
179.7 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
173 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
174.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
169.9 Ų [M-H]-
物理化学的性質
- 融点
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (429 of 430) of all reports.
Not Classified
Aggregated GHS information provided per 430 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: .alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl
Status: Active Update: 02-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26864
.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryNot toxic or mutagenic in subchronic toxicity studies; [ToxPlanet: Health Council of the Netherlands] The dihydrate is the product of commerce (CAS# 6138-23-4); [JECFA] May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesNot Classified
毒性情報
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
安全データ
- wgk
- WGK 1
- tsca
- TSCA listed
- hs_code
- 29400090
化学と産業
薬理情報
Tissue LocationsEpidermis
Cellular LocationsExtracellular
Metabolite PathwaysTrehalose Degradation
用途と製造
Uses
CIR ingredient: Trehalose
Disaccharide present in fungi, bacteria, yeasts, and insects; Used to stabilize cells during freeze-drying and air-drying, as a sweetener and stabilizer in foods, and as an additive in cosmetics; [Merck Index] Used as a texturizer, stabilizer, humectant, and sweetener in foods; [JECFA]
Household ProductsInformation on 31 consumer products that contain Trehalose in the following categories is provided:
Use Classification
Food Additives -> HUMECTANT; STABILIZER; SWEETENER; TEXTURIZER; THICKENER -> JECFA Functional Classes
Food Additives -> HUMECTANT; STABILIZER; SWEETENER; TEXTURIZER; THICKENER -> JECFA Functional Classes
Cosmetics -> Humectant; Moisturising
General Manufacturing Information.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl: ACTIVE
応用分野
解説トレハロース,ほかの異性体とともに合成もされている．"二水和物は融点97 ℃．[α]20D ＋178.3°(水)．無水物は融点203 ℃．[α]20D ＋197.1°(水)．たいていの酵母で発酵される．α,β-トレハロース(neotrehalose)はハチミツに含まれ，融点149 ℃．[α]D＋83.5°(水)．β,β-トレハロース(isotrehalose)は融点135～140 ℃．[α]D－40.2°(水)．森北出版「化学辞典（第2版）
使用trehalose is a humectant and moisturizer, it helps bind water in the skin and increase the skin’s moisture content. It is a naturally occurring plant sugar.
調製方法
関連反応
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