3,3'-디옥타데실린도카르보시아닌
2-[3-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium
기본 정보
- CAS
40957-95-7- 표준 SMILES
CCCCCCCCCCCCCCCCCCN1/C(=C/C=C/C2=[N+](CCCCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21- InChIKey
IJRJBQGVWNVZSA-UHFFFAOYSA-N- 분자식
- C59H97N2+
- 평균 분자량
- 834.4 g/mol
- 단동위원소 질량
- 833.7651761
개요
DilC18(3)(1+) is the cationic form of a C3 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end. It has a role as a fluorochrome. It is a Cy5 dye and an indolium ion.
이름 및 식별자
- 우선 이름
- 2-[3-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium
- IUPAC
- (2E)-2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole
- 현지명
- 3,3'-디옥타데실린도카르보시아닌
- 영어명
- 3,3'-dioctadecylindocarbocyanine
- 분자식
- C59H97N2+
- 분자량
- 834.44
이름 및 동의어
dilC18(3)(1+)SCHEMBL29539035CHEBI:52818Q271236262-[3-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium3,3'-디옥타데실린도카르보시아닌Cy2 DiC18 (3)3,3'-dioctadecylindocarbocyanine3,3'-DioctadecyllindocarbocyanineCy2 DiC18 (3)(3,3'-dioctadecylindocarbocyanine)(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-isobutyramido-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-(2-methoxyethoxy)tetrahydrofuran-3-yl isopropyl diisopropylphosphoramidite
데이터베이스 식별자
- CAS
40957-95-7- PubChem CID
- 5706736
- ChEBI
CHEBI:52818- Nikkaji
- J1.362.210H、J545.638J
물성
구조 계산 물성
- XLogP
- 23.2
- 극성 표면적
- 6.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 36
- 무거운 원자 수
- 61
- 형식 전하
- 1
- 복잡도
- 1,110
화학 및 산업
추가 설명
정의ChEBI: The cationic form of a C3 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end.
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