4-ニトロフェニルα-D-グルコピラノシド

p-nitrophenyl alpha-D-glucopyranoside

HCID 92969CAS 3767-28-0
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey
IFBHRQDFSNCLOZ-ZIQFBCGOSA-N
分子式
C12H15NO8
平均分子量
301.25 g/mol
単同位体質量
301.07976644

名称と識別子

優先名称
p-nitrophenyl alpha-D-glucopyranoside
IUPAC
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
現地名
4-ニトロフェニルα-D-グルコピラノシド
英語名
4-Nitrophenyl-alpha-D-glucopyranoside
分子式
C12H15NO8
分子量
301.25

名称と別名

3767-28-04-nitrophenyl-alpha-D-glucopyranoside4-Nitrophenyl alpha-glucosidep-Nitrophenyl alpha-D-glucopyranosidep-Nitrophenyl-alpha-D-glucopyranosidep-nitrophenyl-glucopyranosideDTXSID701031992PNP-alpha-GluRefChem:100097para-nitrophenyl alpha-glucosideDTXCID801516993223-189-3
名称をさらに表示
4-ニトロフェニルα-D-グルコピラノシドp-ニトロフェニルα-D-グルコピラノシドp-ニトロフェニルα-グルコシドP-ニトロフェニル-Α-D-グルコピラノシド4-ニトロフェニル-Α-D-グルコピラノシド4-ニトロフェニル Α-D-グルコピラノシド1-O-(4-ニトロフェニル)-α-D-グルコピラノース(2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-(4-ニトロフェノキシ)オキサン-3,4,5-トリオール4-nitrophenyl α-D-glucopyranosideα-D-Glucopyranoside, 4-nitrophenylGlc-a-PNPalfa-PNPGPNP -α-D-GLUPNP-ALPHA-D-GLCPNP-α-D-glucopyranosidep-Nitrophenyl α-glucosidePNP ALPHA-D-GLUCOPYRANOSIDE
4-Nitrophenyl a-D-glucopyranoside4-Nitrophenyl alpha-D-glucopyranosidea-D-Glucopyranoside, 4-nitrophenylMFCD00064088(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol4-nitrophenyl alpha-d-glucosidePNGp-nitrophenyl a-d-glucopyranoside

データベース識別子

CAS
3767-28-0
PubChem CID
92969
DTXSID
DTXSID701031992
ChEMBL
CHEMBL1235365
ChEBI
CHEBI:91122
EC Number
223-189-3
Nikkaji
J208.797I

物性

構造計算による物性

XLogP
-0.4
極性表面積
145 Ų
水素結合供与体数
4
水素結合受容体数
8
回転可能結合数
3
重原子数
21

物理化学的性質

融点
210 · 210-216 °C
沸点
442.39 °C · 442.39°C (rough estimate)
比重(密度)
1.3709 · 1.3709 (rough estimate)
屈折率
218.5 ° · 218.5 ° (C=0.5, H2O)
貯蔵温度
-20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
溶解性
10 mg/ml,DMSO: · DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: Slightly soluble,PBS (pH 7.2): 0.3 mg/ml

化学的性質

化学的特性White Crystals

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information.alpha.-D-Glucopyranoside, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

法規制情報

Regulatory Information.alpha.-D-Glucopyranoside, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
3-10-21
wgk
3
hs_code
29389090
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26

化学と産業

応用分野

使用Substrate for a-glucosidase inhibitor

調製方法 · 1 件

純化方法Purify 4-nitrophenyl--D-glucopyranoside by recrystallisation from H2O, MeOH or EtOH. [Jermyn Aust J Chem 7 202 1954, Montgomery et al. J Am Chem Soc 64 690 1942.] It is a chromogenic substrate from -glucosidases [Oliviera et al. Anal Biochem 1 1 3 1881981], and is a C5227substrate for glucansucrases [Binder & Robyt Carbohydr Research 124 2871983]. [Beilstein 17/7 V 53.]

上流・下流製品情報

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補足説明

定義ChEBI: An alpha-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.

関連反応

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