1-(benzyloxycarbonyl)-3-(beta-D-gluco-pyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-pyrazole

HCID 67334988

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

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8건

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