1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole

HCID 23545514
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기본 정보

표준 SMILES
CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CC3CC3)c2C)cc1
InChIKey
MEUZMBRAOOEZKS-JPVHLGFFSA-N
분자식
C22H30N2O6S
평균 분자량
450.6 g/mol
단동위원소 질량
450.18245785

이름 및 식별자

우선 이름
1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole
IUPAC
(2S,3R,4S,5S,6R)-2-[1-(cyclopropylmethyl)-5-methyl-4-[(4-methylsulfanylphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

이름 및 동의어

SCHEMBL4362565MEUZMBRAOOEZKS-JPVHLGFFSA-N1-(cyclo-propylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole

데이터베이스 식별자

PubChem CID
23545514

물성

구조 계산 물성

XLogP
1.9
극성 표면적
143 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
31

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