ラクトビオン酸

Lactobionic Acid

HCID 7314
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基本情報

CAS
96-82-2
標準SMILES
O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIKey
JYTUSYBCFIZPBE-AMTLMPIISA-N
分子式
C12H22O12
平均分子量
358.3 g/mol
単同位体質量
358.11112613

名称と識別子

優先名称
Lactobionic Acid
IUPAC
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
現地名
ラクトビオン酸
英語名
Lactobionic acid
分子式
C12H22O12
分子量
358.3

名称と別名

LACTOBIONIC ACID96-82-24-O-beta-D-Galactopyranosyl-D-gluconic acidDTXSID30488614-(beta-D-Galactosido)-D-gluconic acid65R938S4DVDTXCID6028787CHEBI:55481RefChem:798371GlyTouCan:G18874TBG18874TBD-GLUCONIC ACID, 4-O-BETA-D-GALACTOPYRANOSYL-
名称をさらに表示
ラクトビオン酸 (酸型，ラクトン型混合物)4-O-β-D-ガラクトピラノシル-D-グルコン酸4-O-(β-D-ガラクトピラノシル)-D-gluco-ヘキソン酸4-O-(β-D-ガラクトピラノシル)-D-グルコン酸ラクトビオン酸(2R,3R,4R,5R)-2,3,5,6-テトラヒドロキシ-4-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ヘキサン酸LACTOBIONIC ACID POWDERLactose acidLactobionateLactobionSactobionic acidLaCLobionic AcidLACTOBIONIC ACID 97%
202-538-3MFCD00078147(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acidD-Gluconic acid, 4-O-b-D-galactopyranosyl-C12H22O12D-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid

データベース識別子

CAS
96-82-2
PubChem CID
7314
DTXSID
DTXSID3048861
ChEMBL
CHEMBL3039602
ChEBI
CHEBI:55481
UNII
65R938S4DV
EC Number
202-538-3
Nikkaji
J4.724D

物性

構造計算による物性

XLogP
-5
極性表面積
218 Ų
水素結合供与体数
9
水素結合受容体数
12
回転可能結合数
8
重原子数
24

実験および物理化学的性質

Collision Cross Section168.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
113 · 113-118 °C(lit.)
比旋光度
22.8 · 22.8 º (c=10, H2O)
沸点
410.75 °C · 410.75°C (rough estimate)
比重(密度)
1.4662 · 1.4662 (rough estimate)
屈折率
26 ° · 26 ° (C=8.8, H2O)
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性White to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 92.3% (24 of 26) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 24 of 26 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 26 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 24 of 26 reports by companies.；There are 2 notifications provided by 2 of 26 reports by companies with hazard statement code(s).；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 InformationD-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified

法規制情報

Regulatory InformationD-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
1
hs_code
29400000
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26
ストレージクラス
11 - Combustible Solids

化学と産業

用途と製造

UsesUse (kg; approx.) in Germany (2009): >25；Consumption (g per capita; approx.) in Germany (2009): 0.000305；Calculated removal (%): 92.1

応用分野

用途医薬品原料及び食品添加等研究用。

使用Lactobionic acid is mainly used in preservation solutions for organ transplantation. It is used to produce erythromycine lactobionate.

調製方法

純化方法Crystallise lactobionic acid from water by addition of EtOH. [NMR: Taga et al. Bull Chem Soc Jpn 51 2278 1978, Beilstein 17 III/IV 3392, 17/7 V 436.]

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

補足説明

定義本品は、次の化学式で表される酸性糖である。

定義ChEBI: A disaccharide formed between beta-D-galactose and D-gluconic acid.

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