기본 정보
- 표준 SMILES
[N-]=[N+]=NC(CCl)c1cn(CCC(CO)CO)c(=O)[nH]c1=O- InChIKey
NMHIHYDZSKBGJH-UHFFFAOYSA-N- 분자식
- C11H16ClN5O4
- 평균 분자량
- 317.73 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1-(4-Hydroxy-3-(hydroxymethyl)-1-butyl)-5-(1-azido-2-chloroethyl)uracil
- IUPAC
- 5-(1-azido-2-chloroethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
이름 및 동의어
1-(4-hydroxy-3-(hydroxymethyl)-1-butyl)-5-(1-azido-2-chloroethyl)uracil1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-chloroethyl)uracilRefChem:9073661-HHMBu-5-N3CEUCHEMBL133034NMHIHYDZSKBGJH-UHFFFAOYSA-N1-[3,3-Bis(hydroxymethyl)propyl]-5-(1-azido-2-chloroethyl)uracil5-(1-azido-2-chloroethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2chloroethyl)uracil5-(1-azido-2-chloro-ethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione5-(1-Azido-2-chloroethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]-2,4(1H,3H)-pyrimidinedione
데이터베이스 식별자
- PubChem CID
- 490387
- ChEMBL
CHEMBL133034- Nikkaji
- J1.660.904H
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 473
관련 반응
3건
화합물 노트
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