기본 정보
- CAS
70-00-8- 표준 SMILES
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F- InChIKey
VSQQQLOSPVPRAZ-XVMARJQXSA-N- 분자식
- C10H11F3N2O5
- 평균 분자량
- 296.2 g/mol
- 단동위원소 질량
- 296.06200594
이름 및 식별자
- 우선 이름
- 1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
- IUPAC
- 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
- 영어명
- Uracil, 1-(2-deoxy-α-D-erythro-pentofuranosyl)-5-(trifluoromethyl)- (7CI,8CI)
- 분자식
- C10H11F3N2O5
- 분자량
- 296.2
이름 및 동의어
C10H11F3N2O5Thymidine,.alpha.,.alpha.-trifluoro-Triflurdine (Viroptic)alpha,alpha,alpha-Trifluorothymidine5-(Trifluoromethyl)-2'-deoxyuridineNSC5291822,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-5-(trifluoromethyl)-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(trifluoromethyl)pyrimidine-2,4-dione1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dioneNCIOpen2_004571SCHEMBL150445Trifluridine (NSC 75520)
이름 더 보기
Trifluridine Impurity 5Trifluridine Impurity 4Trifluridine Impurity 6Trifluridine Impurity 9Trafloxuridine impurity 92’-Deoxy-alpha-5-trifluoromethyl uridineUracil, 1-(2-deoxy-α-D-erythro-pentofuranosyl)-5-(trifluoromethyl)- (7CI,8CI)1-((2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione1-((2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione - [AC78586]
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 464
물리화학적 성질
- 밀도
- 1.646 · 1.646±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.75 · 7.75±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사17 곳
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