기본 정보
- CAS
750598-20-0- 표준 SMILES
Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
KRRZKBNCONNKPI-IOSLPCCCSA-N- 분자식
- C11H13FN4O4
- 평균 분자량
- 284.24 g/mol
이름 및 식별자
- 우선 이름
- (2R,3R,4S,5R)-2-(4-Amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- 영어명
- 4-Amino-5-fluoro-7-(-D-ribofuranosyl)-7H-pyrrolo[2.3-d]-pyrimidine
- 분자식
- C11H13FN4O4
- 분자량
- 284.24
이름 및 동의어
750598-20-05-fluorotubercidin(2R,3R,4S,5R)-2-(4-Amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolMFCD30471837CHEMBL4587788C11H13FN4O4(2R,3R,4S,5R)-2-{4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diol(2R,3R,4S,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL6509887BDBM50536665AKOS030628125AS-74926
이름 더 보기
5-Fluoro-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-fluoro-7-β-D-ribofuranosyl-4-Amino-5-fluoro-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine4-Amino-5-fluoro-7-(-D-ribofuranosyl)-7H-pyrrolo[2.3-d]-pyrimidine(2R,3R,4S,5R)-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol*(2R,3R,4S,5R)-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(WXC03258)
FA144693SY269447W122524-Amino-5-fluoro-7-(?-D-ribofuranosyl)-7H-pyrrolo[2.3-d]pyrimidine4-amino-5-fluoro-7-(beta-D-ribofuranosyl)-7H- pyrrolo[2,3-d]pyrimidine(2R,3R,4S,5R)-2-(4-amino-5-fluoro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolFTU
데이터베이스 식별자
- CAS
750598-20-0- ChEMBL
CHEMBL4587788- Nikkaji
- J2.503.283G
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 365
물리화학적 성질
- 녹는점
- 221 · 221-222 °C
- 끓는 점
- 650.2 · 650.2±55.0 °C(Predicted)
- 밀도
- 1.99 · 1.99±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.31 · 12.31±0.70(Predicted)
화학 및 산업
응용 분야
용도Synthesis and biological activity of 5-Fluorotubercidin were examined. No antibacterial activity was observed. Increased activity of 5-Fluorotubercidin over tubercidin was observed against L-1219 cells and toxicity in fibroblast cells was reduced.
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