{2-[2-Ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-but-2-enylamino]-ethyl}-phosphonic acid
기본 정보
- 표준 SMILES
CCC(=CCc1c(O)c2c(c(C)c1CC)COC2=O)CNCCP(=O)(O)O- InChIKey
FFBAVADINKIGFK-UHFFFAOYSA-N- 분자식
- C19H28NO6P
- 평균 분자량
- 397.4 g/mol
이름 및 식별자
- 우선 이름
- {2-[2-Ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-but-2-enylamino]-ethyl}-phosphonic acid
- IUPAC
- 2-[[2-ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-enyl]amino]ethylphosphonic acid
이름 및 동의어
SCHEMBL1374356FFBAVADINKIGFK-UHFFFAOYSA-N{2-[2-Ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran -5-yl)-but-2-enylamino]-ethyl}-phosphonic acid{2-[2-ethyl-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-but-2-enylamino]-ethyl}-phosphonic acid
데이터베이스 식별자
- PubChem CID
- 67010234
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 589
관련 반응
8건
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