ethyl (2R)-2-methyl-2-(methylsulfonyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoate (HCID 66577950)

기본 정보

표준 SMILES: CCOC(=O)[C@@](C)(CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)S(C)(=O)=O
InChIKey: DUBJNKQGCVBCES-HXUWFJFHSA-N
분자식: C20H31BO6S
평균 분자량: 410.3 g/mol

이름 및 식별자

우선 이름: ethyl (2R)-2-methyl-2-(methylsulfonyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoate
IUPAC: ethyl (2R)-2-methyl-2-methylsulfonyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoate

이름 및 동의어

SCHEMBL5806DUBJNKQGCVBCES-HXUWFJFHSA-Nethyl (2R)-2-methyl-2-(methylsulfonyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoateethyl(2R)-2-methyl-2-(methylsulfonyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoate

데이터베이스 식별자

PubChem CID: 66577950

물성

구조 계산 물성

극성 표면적: 87.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 28
형식 전하: 0
복잡도: 645

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