2,2-Dimethylpropionic acid [8-chloro-1-(2,2-dimethyl-propionyloxymethyl)-7-(2-formylphenyl)-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester
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기본 정보
- 표준 SMILES
CC(C)(C)C(=O)OCn1c(=O)c2c(nc(Cl)n2-c2ccccc2C=O)n(COC(=O)C(C)(C)C)c1=O- InChIKey
AVDDTAVRDDJDRY-UHFFFAOYSA-N- 분자식
- C24H27ClN4O7
- 평균 분자량
- 518.9 g/mol
이름 및 식별자
- 우선 이름
- 2,2-Dimethylpropionic acid [8-chloro-1-(2,2-dimethyl-propionyloxymethyl)-7-(2-formylphenyl)-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester
- IUPAC
- [8-chloro-1-(2,2-dimethylpropanoyloxymethyl)-7-(2-formylphenyl)-2,6-dioxopurin-3-yl]methyl 2,2-dimethylpropanoate
이름 및 동의어
SCHEMBL5771257AVDDTAVRDDJDRY-UHFFFAOYSA-N[8-Chloro-1-(2,2-dimethylpropionyloxymethyl)-7-(2-formylphenyl)-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl 2,2-dimethylpropionate2,2-Dimethylpropionic acid [8-chloro-1-(2,2-dimethyl-propionyloxymethyl)-7-(2-formylphenyl)-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester2,2-Dimethylpropionic acid [8-chloro-1-(2,2-dimethylpropionyloxymethyl)-7-(2-formylphenyl) 2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester2,2-Dimethylpropionic acid [8-chloro-1-(2,2-dimethylpropionyloxymethyl)-7-(2-formylphenyl)-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester
데이터베이스 식별자
- PubChem CID
- 23536890
물성
구조 계산 물성보충 중
- XLogP
- 4.4
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 900
관련 반응
4건
화합물 노트
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