기본 정보
- 표준 SMILES
Cc1c(Cc2ccc(OC(C)C)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1C(=O)OCc1ccccc1- InChIKey
SAMVKKHFTNBEQA-NUPXYHBHSA-N- 분자식
- C28H34N2O9
- 평균 분자량
- 542.6 g/mol
이름 및 식별자
- 우선 이름
- 1-(benzyloxycarbonyl)-3-(beta-D-gluco-pyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-pyrazole
- IUPAC
- benzyl 5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrazole-1-carboxylate
이름 및 동의어
SCHEMBL2251701SAMVKKHFTNBEQA-NUPXYHBHSA-N1-(benzyloxycarbonyl)-3-(beta-D-gluco-pyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-pyrazole1-(benzyloxycarbonyl)-3-(beta-D-glucopyranosyloxy)-4-[(4-iso-propoxyphenyl)methyl]-5-methylpyrazole1-(benzyloxycarbonyl)-3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-pyrazole1-(benzyloxycarbonyl)-3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methylpyrazole
데이터베이스 식별자
- PubChem CID
- 67334988
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 759
관련 반응
8건
화합물 노트
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