CAS 76823-03-5 5-Fam (HCID 123755)

기본 정보

CAS: 76823-03-5
표준 SMILES: O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIKey: NJYVEMPWNAYQQN-UHFFFAOYSA-N
분자식: C21H12O7
평균 분자량: 376.3 g/mol
단동위원소 질량: 376.05830272

개요

5-carboxyfluorescein is a monocarboxylic acid. It has a role as a fluorochrome. It is functionally related to a fluorescein (lactone form).

이름 및 식별자

우선 이름: 5-Fam
IUPAC: 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
현지명: 5-카르복시플루오레세인
영어명: 5-Carboxyfluorescein
분자식: C21H12O7
분자량: 376.32

이름 및 동의어

5-Carboxyfluorescein76823-03-55-FAM4-carboxyfluorescein4(5)-CarboxyfluoresceinDTXSID30227642AB2MM66GSFCHEBI:51617Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6-dihydroxy-3-oxo-RefChem:534189DTXCID801501333',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid

이름 더 보기

5-카르복시플루오레세인5(6)-FAM5-CF5-Carboxyfluorescein (5-FAM)5-(AND-6)-CARBOXY SNARF(R)-1TQSY001Fam (dye)

3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acidMFCD000368743',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acidAS-32304PD0122133',6'-Dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acidQ271226875-Carboxyfluorescein (Technical Grade)

데이터베이스 식별자

CAS: 76823-03-5
PubChem CID: 123755

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 113 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 28
형식 전하: 0
복잡도: 637

물리화학적 성질

녹는점: 368 · 368-372°C
끓는 점: 725.2 · 725.2±60.0 °C(Predicted)
밀도: 1.73 · 1.73±0.1 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 에 용해됨DMF
산도 계수 (pKa): 3.3 · 3.3, 4.6, 6.4, 7.0(at 25℃)
물리적 상태: 고체
색상: 노란색에서 주황색으로
BRN: 57037 · 57037
주요 응용: 형광 프로브, 암 진단, 백혈병, 대장암, 폴리뉴클레오티드, 박테리아, 병원균, 핵산, A형 간염 바이러스, 뎅기열 바이러스, 단순포진 바이러스, 유전자, HIV 유형, 심혈관 질환 위험 인자
InChI: 1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKey: NJYVEMPWNAYQQN-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35

화학적 성질

Orange Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

안전 데이터

wgk: 3
HS 번호: 32129000
risk_code: 36
hazard_code: Xi
safety_code: 26-39
F 고인화성물질: 8
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요5-Carboxyfluorescein is a single isomer derivative of 5(6)-carboxyfluorescein that can be used to fluorescently label biomolecules through the interaction of carboxylic acid with primary amines. It demonstrates excitation/emission maxima of 492 and 518 nm, respectively.

용도5-Carboxyfluorescein(5-FAM) contains a carboxylic acid that can be used to react with primary amines via carbodiimide activation of the carboxylic acid. It is a useful reagent for the preparation of hydrolytically stable fluorescent conjugates and is a useful starting material for the synthesis of other fluorescein-derives reagent. It has been principally used to develop a variety of green fluorescent reagents and small fluorescent molecules due to its relatively high absorbance characteristics, excellent fluorescence quantum yield, and good water solubility. The probe has also found application in studies of liposome-cell, cell-cell, and liposome-liposome interactions and in related studies on lipid bilayer structures.