기본 정보
- 표준 SMILES
CCCOc1c(O)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O- InChIKey
IQJHFADUOXDGLY-WOJBJXKFSA-N- 분자식
- C25H32O9S
- 평균 분자량
- 508.6 g/mol
이름 및 식별자
- 우선 이름
- trans-2-[3-(2-Oxopropylsulfonyl)-4-propoxy-5-hydroxyphenyl]-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
- IUPAC
- 1-[3-hydroxy-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]sulfonylpropan-2-one
이름 및 동의어
SCHEMBL9100949IQJHFADUOXDGLY-WOJBJXKFSA-Ntrans 2-[3-(2-oxo-propylsulfonyl)-4-n-propoxy-5- hydroxyphenyl]5-(3,4,5-trimethoxyphenyl)tetrahydrofurantrans-2-[3-(2- oxopropylsulfonyl)-4-n-propoxy-5-hydroxyphenyl]5- (3,4,5-trimethoxyphenyl)tetrahydrofurantrans-2-[3-(2-Oxopropylsulfonyl)-4-n-propoxy-5-hydroxyphenyl]-5-(3,4,5-trimethoxyphenyl) tetrahydrofurantrans-2-[3-(2-oxopropylsulfonyl)-4-n-propoxy-5-hydroxyphenyl]-5-(3,4,5-trimethoxyphenyl)tetrahydrofurantrans-2-[3-(2-oxopropylsulfonyl)-4-propoxy-5-hydroxyphenyl]-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
데이터베이스 식별자
- PubChem CID
- 15078290
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 768
관련 반응
9건
화합물 노트
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