(R)-5-oxo-2-tetrahydrofurancarboxylic acid

HCID 104532CAS 53558-93-3

기본 정보

표준 SMILES: O=C1CC[C@H](C(=O)O)O1
InChIKey: QVADRSWDTZDDGR-GSVOUGTGSA-N
분자식: C5H6O4
평균 분자량: 130.1 g/mol
단동위원소 질량: 130.02660867

이름 및 식별자

우선 이름: (R)-5-oxo-2-tetrahydrofurancarboxylic acid
IUPAC: (2R)-5-oxooxolane-2-carboxylic acid
영어명: (R)-(-)-5-Oxotetrahydrofuran-2-carboxylic acid
분자식: C5H6O4
분자량: 130.1

이름 및 동의어

(r)-5-oxo-2-tetrahydrofurancarboxylic acidRefChem:47276353558-93-3(R)-5-Oxotetrahydrofuran-2-carboxylic acid(R)-(-)-5-Oxotetrahydrofuran-2-carboxylic Acid(2R)-5-oxooxolane-2-carboxylic acid2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-(R)-(-)-5-Oxotetrahydrofuran-2-carboxylicAcidMFCD00011567(R)-5-oxotetrahydrofuran-2-carboxylicacid(R)-(-)-5-Oxo-2-tetrahydrofuroic Acid(R)-(-)-gamma-Carboxy-gamma-butyrolactone

이름 더 보기

5-oxo-2-tetrahydrofurancarboxylic acid(2R)-5-Oxotetrahydro-2-furancarboxylic acid(R)-tetrahydro-5-oxo-2-furancarboxylic acid(theta)-2-furancarboxylicaci(r)-γ-carboxy-γ-butyrolactone5-Oxo-tetrahydro-furan-2-carboxylic(2R)-5-Oxooxolane-2β-carboxylic acid(R)-GAMMA-CARBOXY-GAMMA-BUTYROLACTONE

O0281(R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic acid(R)-Tetrahydro-5-oxo-2-furancarboxylic Acid; (2R)-Tetrahydro-5-oxofuran-2-carboxylic Acid; (R)-(-)-5-Oxo-2-tetrahydrofurancarboxylic Acid; (R)-5-Oxo-2-tetrahydrofurancarboxylic acid; (R)-5-Oxotetrahydrofuran-2-carboxylic Acid; (R)-Tetrahydro-5-oxo-2-furancarboxylic Acid(2R)-5-oxotetrahydrofuran-2-carboxylic acidSCHEMBL122685-Furancarboxylic acid, tetrahydro-2-oxo-, (R)-(-)-DTXSID80886061QVADRSWDTZDDGR-GSVOUGTGSA-N

데이터베이스 식별자

CAS: 53558-93-3
PubChem CID: 104532
DTXSID: DTXSID80886061
EC Number: 627-375-9
Nikkaji: J429.222G

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 71 · 71-73 °C (lit.)
끓는 점: 165 · 165-167 °C/0.3 mmHg (lit.)
밀도: 1.3985 · 1.3985 (rough estimate)
굴절률: 1.58 · 1.5800 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 3.11 · 3.11±0.20(Predicted)
BRN: 1424499 · 1424499
InChI: InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1
InChIKey: QVADRSWDTZDDGR-GSVOUGTGSA-N
SMILES: O1C(=O)CC[C@@H]1C(O)=O
EPA: 2 · 2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)- (53558-93-3)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Furancarboxylic acid, tetrahydro-5-oxo-, (2R)-: INACTIVE

응용 분야

용도(R)-5-Oxotetrahydrofuran-2-carboxylic Acid is an intermediate used to synthesize 2'',3''-dideoxy-4''-selenonucleosides as potential antiviral agents.

일반 설명(R)-()-5-Oxo-2-tetrahydrofurancarboxylic acid belongs to the class of furans, considered as heterocyclic building blocks. It is used as an HPLC derivatization reagent for UV/Vis detection.

상·하류 제품 정보

상류 원료

D-글루탐 산 염산 물 초산에틸 아질산 나트륨

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

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