(4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate

HCID 21045301

基本情報

標準SMILES
COc1ccc(C(=O)c2sc(C(C)C)cc2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1
InChIKey
QECDWQWVLGULPZ-UHFFFAOYSA-N
分子式
C29H34O12S
平均分子量
606.6 g/mol

名称と識別子

優先名称
(4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate
IUPAC
[3,4,5-triacetyloxy-6-[2-(4-methoxybenzoyl)-5-propan-2-ylthiophen-3-yl]oxyoxan-2-yl]methyl acetate

名称と別名

SCHEMBL3684495QECDWQWVLGULPZ-UHFFFAOYSA-N(4,5-diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl )-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate(4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate(4,5-diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) actate(4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3yl) acetate

データベース識別子

PubChem CID
21045301

物性

構造計算による物性

XLogP
4
極性表面積
178 Ų
水素結合供与体数
0
水素結合受容体数
13
回転可能結合数
15
重原子数
42

関連反応

5 件

化合物ノート

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