ラクトース一水和物

alpha-D-lactose

HCID 84571

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 10039-26-6
標準SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIKey: GUBGYTABKSRVRQ-XLOQQCSPSA-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-lactose is the alpha-anomer of lactose.

名称と識別子

優先名称: alpha-D-lactose
IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
現地名: ラクトース一水和物
英語名: Lactose, monohydrate
分子式: C12H22O11.H2O
分子量: 360.31

名称と別名

alpha-lactose14641-93-1alpha-D-lactosealpha-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-MJF4JAT10B(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolCHEBI:36219DTXSID50873004beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy)oxane-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol

名称をさらに表示

4-O-β-D-ガラクトピラノシル-D-グルコース・水和物D-ラクトース・水和物乳糖L-CYSTEINE HYDROCHLORIDEMILK SUGARMonohydrate LactoseLACTOSE BPLACTOSUM MONOHYDRICUMMILK SUGAR MONOHYDRATELACTOSE MONOHYDRATE USPAROSE 25Ph.Eur.,USPLACTOSE 1H2O

RefChem:555805GlyTouCan:G88362QRDTXCID30820516G88362QR238-691-8(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranoseA-MILK SUGAR

データベース識別子

CAS: 10039-26-6、14641-93-1、63-42-3、64044-51-5
PubChem CID: 84571
DTXSID: DTXSID50873004
ChEBI: CHEBI:36219
UNII: MJF4JAT10B
EC Number: 238-691-8
Nikkaji: J241.337J

物性

構造計算による物性

XLogP: -4.7
極性表面積: 190 Å²
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: 382

実験および物理化学的性質

Solubility195 mg/mL at 20 °C

Melting Point201 - 202 °C

Physical DescriptionSolid

Collision Cross Section · 2 件

186.3 Å² [M+Li]+ [CCS Type: DT; Method: stepped-field]

178.6 Å² [M+K]+

物理化学的性質

融点: 215 °C · ~215 °C (dec.)
比重(密度): 500 kg/m3 · 500kg/m3
貯蔵温度: room temp
溶解性: 2 O: · H2O: 0.5M at20℃、透明、無色
外見: 個体
色: white
PH: 4 · 4.0-6.5 (20°C, 100g/L in water)
水溶解度: 161 g/L · 161g/L
InChI: InChI=1/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11,12+;/s3
InChIKey: WSVLPVUVIUVCRA-UBWUDVJHNA-N
SMILES: [C@@H]1([C@H](O)[C@H](C(O)O[C@@H]1CO)O)O[C@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O.O |&1:0,1,3,7,12,13,15,16,18,r|
CAS データベース: 10039 · 10039-26-6(CAS DataBase Reference)

化学的性質

化学的特性White or almost white, crystalline powder.

安全と法規制

危険有害性情報

Regulatory Information · 3 件

Chemical: D-Glucose, 4-O-.beta.-D-galactopyranosyl-, monohydrate

.alpha.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Lactose monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - D-Glucose, 4-O-.beta.-D-galactopyranosyl-, monohydrate: Human health tier I assessment

安全データ

F: 3
wgk: 3
自然発火温度: 390°C
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Tissue LocationsBladder

Cellular LocationsCytoplasm

Metabolite PathwaysCongenital disorder of glycosylation CDG-IId

用途と製造

General Manufacturing Information.alpha.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl-: ACTIVE

応用分野

解説D-グルコース1分子とD-ガラクトース1分子が，グリコシド結合した二糖，C12H22O11．乳汁に特徴的な成分で，すべての哺乳動物の乳汁中に5 ％前後含まれている．

使用Excipient.

調製方法 · 1 件

Lactose is a natural disaccharide consisting of galactose and glucose, and is present in the milk of most mammals. Commercially, lactose is produced from the whey of cows’ milk; whey being the residual liquid of the milk following cheese and casein production. Cows’ milk contains 4.4–5.2% lactose; lactose constitutes 38% of the total solid content of milk. a-Lactose monohydrate is prepared by crystallization from supersaturated solutions below 93.5°C. Various crystalline shapes are prism, pyramidal, and tomahawk; these are dependent on the method of precipitation and crystallization. Direct compression grades of a-lactose monohydrate are prepared by granulation/ agglomeration and spray-drying.

上流・下流製品情報

上流原料

水酸化カルシウム Whey

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