4-[2-[(1E,3E,5E)-5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
기본 정보
- CAS
167638-53-1- 표준 SMILES
CCN1\C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)C(C)(C)c2cc(CC(=O)ON3C(=O)CCC3=O)ccc21- InChIKey
OPIIZKCLUIZXHG-UHFFFAOYSA-N- 분자식
- C41H45N3O7S
- 평균 분자량
- 723.9 g/mol
- 단동위원소 질량
- 723.29782196
개요
See also: NIR-664-N-succinimidyl ester (preferred).
이름 및 식별자
- 우선 이름
- 4-[2-[(1E,3E,5E)-5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
- IUPAC
- 4-[2-[(1E,3E,5Z)-5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
- 영어명
- 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester
- 분자식
- C41H45N3O7S
- 분자량
- 723.88
이름 및 동의어
4-[2-[(1E,3E,5Z)-5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate4-[2-[(1E,3E,5E)-5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate4-{2-[(1E,3E,5Z)-5-(5-{2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl}butane-1-sulfonatenir-664-n-succinimidyl esternir-664-n-succinimidylesterforfluorescence4,5-BENZO-5'-(N-SUCCINIMIDYL-OXYCARBONYL -METHYL)-1'-ETHYL-34,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester4,5-BENZO-5'-(N-SUCCINIMIDYL-OXYCARBONYL-METHYL)-1'-ETHYL-3,3,3',3'-TETRAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANINE4,5-Benzo-5′-(N-succinimidyl-oxycarbonyl-methyl)-1′-ethyl-3,3,3′,3′-tetramethyl- 1-(4-sulfobutyl)indodicarbocyanine
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,590
물리화학적 성질
- 저장 조건
- 20 °C · −20°C
- 용해도
- 이소프로판올: 가용성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- safety_code
- 22-24/25
- F 고인화성물질
- 8-10-21
관련 반응
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