Bis(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethyl) 4,10,16-tris(3-(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethoxy)-3-oxopropyl)-4,7,10,13,16-pentaazanonadecane-1,19-dioate
기본 정보
- CAS
1857341-90-2- 표준 SMILES
CCCCCCCCSCC(C)C(=O)OCCOC(=O)CCN(CCNCCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCNCCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC- InChIKey
BYWPQQOQVPVCTC-UHFFFAOYSA-N- 분자식
- C93H173N5O20S5
- 평균 분자량
- 1,841.7 g/mol
이름 및 식별자
- 우선 이름
- Bis(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethyl) 4,10,16-tris(3-(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethoxy)-3-oxopropyl)-4,7,10,13,16-pentaazanonadecane-1,19-dioate
- IUPAC
- 2-[3-[2-[2-[2-[2-[bis[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]ethylamino]ethyl-[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]ethylamino]ethyl-[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 2-methyl-3-octylsulfanylpropanoate
- 영어명
- 4,7,10,13,16-Pentaazanonadecanedioic acid, 4,10,16-tris[3-[2-[2-methyl-3-(octylthio)-1-oxopropoxy]ethoxy]-3-oxopropyl]-, 1,19-bis[2-[2-methyl-3-(octylthio)-1-oxopropoxy]ethyl] ester
- 분자식
- C93H173N5O20S5
- 분자량
- 1841.72
이름 및 동의어
5A2-SC81857341-90-2Bis(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethyl) 4,10,16-tris(3-(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethoxy)-3-oxopropyl)-4,7,10,13,16-pentaazanonadecane-1,19-dioateorb1982929SCHEMBL188112965A2-SC8?EX-A73285A2-SC8(P04)BP-42922MS-32226PD197518HY-145799
이름 더 보기
CS-0433302H38259T744501,19-bis(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethyl) 4,10,16-tris[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]-4,7,10,13,16-pentaazanonadecanedioate2-[3-[2-[2-[2-[2-[Bis[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]ethylamino]ethyl-[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]ethylamino]ethyl-[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 2-methyl-3-octylsulfanylpropanoate4,7,10,13,16-Pentaazanonadecanedioic acid, 4,10,16-tris[3-[2-[2-methyl-3-(octylthio)-1-oxopropoxy]ethoxy]-3-oxopropyl]-, 1,19-bis[2-[2-methyl-3-(octylthio)-1-oxopropoxy]ethyl] esterbis(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethyl) 4,10,16-tris(3-(2-((2-methyl-3-(octylthio)propanoyl)oxy)ethoxy)-3-oxopropyl)-4,7,10,13,16-pentaazanonadecanedioate
물성
구조 계산 물성
- XLogP
- 20.9
- 극성 표면적
- 423 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 30
- 회전 가능 결합 수
- 102
- 무거운 원자 수
- 123
- 형식 전하
- 0
- 복잡도
- 2,340
물리화학적 성질
- 끓는 점
- 1296.6 · 1296.6±65.0 °C(Predicted)
- 밀도
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 산도 계수 (pKa)
- 9.51 · 9.51±0.19(Predicted)
- 물리적 상태
- Oil
- 색상
- Colorless to light yellow
- InChIKey
- BYWPQQOQVPVCTC-UHFFFAOYSA-N
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