2-[(4R, 6S)-2,2-dimethyl-6-benzoyloxymethyl-1,3-dioxan-4-yl]acetic tert-butyl ester

HCID 10133384

기본 정보

표준 SMILES
CC(C)(C)OC(=O)C[C@H]1C[C@@H](COC(=O)c2ccccc2)OC(C)(C)O1
InChIKey
KHHRHONIHYEAHX-CVEARBPZSA-N
분자식
C20H28O6
평균 분자량
364.4 g/mol

이름 및 식별자

우선 이름
2-[(4R, 6S)-2,2-dimethyl-6-benzoyloxymethyl-1,3-dioxan-4-yl]acetic tert-butyl ester
IUPAC
[(4S,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]methyl benzoate

이름 및 동의어

SCHEMBL5747023KHHRHONIHYEAHX-CVEARBPZSA-N2-[(4R, 6S)-2,2-dimethyl-6-benzoyloxymethyl-1,3-dioxan-4-yl]acetic tert-butyl ester2-[(4R,6S)-2,2-dimethyl-6-benzoyloxymethyl-1,3-dioxan-4-yl] acetic tert-butyl ester2-[(4R,6S)-2,2-dimethyl-6-benzoyloxymethyl-1,3-dioxan-4-yl]acetic tert-butyl ester(4R-cis)-6-[(benzoyloxy)methyl]-2,2-dimethyl-1,3 -dioxane-4-acetic acid, 1,1-dimethylethyl ester(4R-cis)-6-[(benzoyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid, 1,1-dimethylethyl ester

데이터베이스 식별자

PubChem CID
10133384

물성

구조 계산 물성

XLogP
3.3
극성 표면적
71.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
26

관련 반응

23건

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