Acetic acid 2-acetoxy-1-{3-chlorocarbonyl-5-[(2,2-dimethyl-[1,3]-dioxolan-4-ylmethyl)-(2-hydroxy-ethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-ethyl ester
기본 정보
- 표준 SMILES
CC(=O)OCC(OC(C)=O)C(=O)Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)N(CCO)CC2COC(C)(C)O2)c1I- InChIKey
ZBLCSMWNTDSUQT-UHFFFAOYSA-N- 분자식
- C23H26ClI3N2O10
- 평균 분자량
- 906.6 g/mol
- 단동위원소 질량
- 905.841
이름 및 식별자
- 우선 이름
- Acetic acid 2-acetoxy-1-{3-chlorocarbonyl-5-[(2,2-dimethyl-[1,3]-dioxolan-4-ylmethyl)-(2-hydroxy-ethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-ethyl ester
- IUPAC
- [2-acetyloxy-3-[3-carbonochloridoyl-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(2-hydroxyethyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl] acetate
이름 및 동의어
SCHEMBL3051827ZBLCSMWNTDSUQT-UHFFFAOYSA-NAcetic acid 2-acetoxy-1-{3-chlorocarbonyl-5-[(2,2-dimethyl-[1,3]-dioxolan-4-ylmethyl)-(2-hydroxy-ethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-ethyl esterAcetic acid 2-acetoxy-1-{3-chlorocarbonyl-5-[(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-(2-hydroxy-ethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-ethyl ester
데이터베이스 식별자
- PubChem CID
- 59470592
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 942
관련 반응
3건
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