기본 정보
- 표준 SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCl- InChIKey
UUSHUCRHZYSZKI-DJLDLDEBSA-N- 분자식
- C11H15ClN2O5
- 평균 분자량
- 290.7 g/mol
- 단동위원소 질량
- 290.06694926
개요
5-(2-Chloroethyl)-2'-deoxyuridine is a pyrimidine 2'-deoxyribonucleoside.
이름 및 식별자
- 우선 이름
- 5-(2-Chloroethyl)-2'-deoxyuridine
- IUPAC
- 5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- 영어명
- 5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl ]pyrimidine-2,4-dione
- 분자식
- C11H15ClN2O5
- 분자량
- 290.7
이름 및 동의어
5-(2-Chloroethyl)-2'-deoxyuridine90301-59-0H1SZ5QC7QD2'-deoxy-5-(2-chloroethyl)uridineUridine, 5-(2-chloroethyl)-2'-deoxy-DTXSID501034152RefChem:101598DTXCID301518837CEDU5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneCCRIS 2828BRN 5976898
이름 더 보기
Uridine,5-(2-chloroethyl)-2'-deoxy- (9CI)5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl ]pyrimidine-2,4-dione
UNII-H1SZ5QC7QDSCHEMBL1627089CHEMBL2079575CHEBI:195580UUSHUCRHZYSZKI-DJLDLDEBSA-N5-(2-CHLOROETHYL)DEOXYURIDINEAKOS030239862"5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione"
데이터베이스 식별자
- CAS
90301-59-0- PubChem CID
- 514814
- DTXSID
DTXSID501034152- ChEMBL
CHEMBL2079575- ChEBI
CHEBI:195580- UNII
- H1SZ5QC7QD
- Nikkaji
- J413.993C
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 414
물리화학적 성질
- 녹는점
- 161 · 161-164 °C
- 밀도
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.24 · 9.24±0.10(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds that inhibit cell production of DNA or RNA.
공급사1 곳
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