기본 정보
- CAS
162704-20-3- 표준 SMILES
Cn1nc(O[C@@H]2c3cc(S(=O)(=O)c4cccc(O)c4)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O- InChIKey
MOZBVDKKWDXRGH-GGAORHGYSA-N- 분자식
- C23H24N2O7S
- 평균 분자량
- 472.5 g/mol
- 단동위원소 질량
- 472.13042228
이름 및 식별자
- 우선 이름
- UK-157147
- IUPAC
- 6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one
- 영어명
- UK-157147
- 분자식
- C23H24N2O7S
- 분자량
- 472.51
이름 및 동의어
UK-157147162704-20-34MLV6V88TGUK157147RefChem:933769UK 157147UK 157,147UK-147,157UNII-4MLV6V88TG6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one3(2H)-Pyridazinone, 6-(((3S,4R)-3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-Pyridazinone, 6-((3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-, (3S-trans)-
이름 더 보기
6-(((3S,4R)-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethylchroman-4-yl)oxy)-2-methylpyridazin-3(2H)-one3(2H)-Pyridazinone, 6-[[(3S,4R)-3,4-dihydro-3-hydroxy-6-[(3-hydroxyphenyl)sulfonyl]-2,2,3-trimethyl-2H-1-benzopyran-4-yl]oxy]-2-methyl-
6-(((3S,4R)-3,4-Dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-pyridazinoneorb1706058SCHEMBL3097671MOZBVDKKWDXRGH-GGAORHGYSA-NAKOS040744387DA-68464HY-100319CS-0018470
데이터베이스 식별자
- CAS
162704-20-3- PubChem CID
- 9869402
- UNII
- 4MLV6V88TG
- Nikkaji
- J1.472.736A
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 941
물리화학적 성질
- 녹는점
- 138 · 138-165 °C
- 끓는 점
- 659.2 · 659.2±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 8.51 · 8.51±0.10(Predicted)
화학 및 산업
공급사6 곳
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