p-nitrophenyl alpha-D-glucopyranoside

HCID 92969CAS 3767-28-0

기본 정보

표준 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
분자식: C12H15NO8
평균 분자량: 301.25 g/mol
단동위원소 질량: 301.07976644

이름 및 식별자

우선 이름: p-nitrophenyl alpha-D-glucopyranoside
IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
영어명: 4-Nitrophenyl-alpha-D-glucopyranoside
분자식: C12H15NO8
분자량: 301.25

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 145 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 354

물리화학적 성질

녹는점: 210 · 210-216 °C
끓는 점: 442.39 °C · 442.39°C (rough estimate)
밀도: 1.3709 · 1.3709 (rough estimate)
굴절률: 218.5 ° · 218.5 ° (C=0.5, H2O)
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
용해도: 10 mg/ml,DMSO: · DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: Slightly soluble,PBS (pH 7.2): 0.3 mg/ml
산도 계수 (pKa): 12.55 · 12.55±0.70(Predicted)
물리적 상태: 결정성 분말
색상: 황백색에서 밝은 노란색까지
수용성: 물, 따뜻한 에탄올 및 메탄올에 용해됩니다.
BRN: 92212 · 92212
InChI: InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/s3
InChIKey: IFBHRQDFSNCLOZ-ZIQFBCGOSA-N
SMILES: O(C1C=CC(N(=O)=O)=CC=1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:10,12,15,17,19,r|

화학적 성질

White Crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

wgk: 3
HS 번호: 29389090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
F 고인화성물질: 3-10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Substrate for a-glucosidase inhibitor

상·하류 제품 정보

상류 원료

하류 제품

4-Nitrophenyl-beta-D-glucopyranoside

공급사50 곳

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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

추가 설명

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

연결된 노트

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