Bis-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)-mono-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiol-4-yl)methanol
기본 정보
- 표준 SMILES
COC(=O)c1c2c(c(C(O)(c3c4c(c(C(=O)OC)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c4c(c(C(=O)OC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c1OC(C)(C)O3)OC(C)(C)O2- InChIKey
YVTSXLQFDXAFCH-UHFFFAOYSA-N- 분자식
- C43H46O15S4
- 평균 분자량
- 931.1 g/mol
이름 및 식별자
- 우선 이름
- Bis-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)-mono-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiol-4-yl)methanol
- IUPAC
- methyl 8-[hydroxy-(4-methoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-8-yl)-(4-methoxycarbonyl-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-8-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole-4-carboxylate
이름 및 동의어
SCHEMBL8045612YVTSXLQFDXAFCH-UHFFFAOYSA-NBis-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)-mono-(8-methoxycarbonyl-2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiol-4-yl)methanol
데이터베이스 식별자
- PubChem CID
- 86752299
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 274 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,660
관련 반응
2건
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