1-ethoxycarbonyl-3-(6-O-ethoxycarbonyl-beta-D-glucopyranosyl-oxy)-4-[(4-ethylthiophenyl)methyl]-5-methylpyrazole

HCID 23543166

기본 정보

표준 SMILES
CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(=O)OCC)c(C)c2Cc2ccc(SCC)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
STGUCTWHRPQYGG-VZWAGXQNSA-N
분자식
C25H34N2O10S
평균 분자량
554.6 g/mol

이름 및 식별자

우선 이름
1-ethoxycarbonyl-3-(6-O-ethoxycarbonyl-beta-D-glucopyranosyl-oxy)-4-[(4-ethylthiophenyl)methyl]-5-methylpyrazole
IUPAC
ethyl 3-[(2S,3R,4S,5S,6R)-6-(ethoxycarbonyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(4-ethylsulfanylphenyl)methyl]-5-methylpyrazole-1-carboxylate

이름 및 동의어

SCHEMBL2254996STGUCTWHRPQYGG-VZWAGXQNSA-N1-ethoxycarbonyl-3-(6-O-ethoxycarbonyl-beta-D-glucopyranosyl-oxy)-4-[(4-ethylthiophenyl)methyl]-5-methylpyrazole1-ethoxycarbonyl-3-(6-O-ethoxycarbonyl-beta-D-glucopyranosyloxy)-4-[(4-ethylthiophenyl)methyl]-5-methylpyrazole

데이터베이스 식별자

PubChem CID
23543166

물성

구조 계산 물성

XLogP
3.1
극성 표면적
184 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
13
무거운 원자 수
38

관련 반응

5건

연결된 노트

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