기본 정보
- CAS
443642-33-9- 표준 SMILES
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(Cl)ncnc21- InChIKey
YNVCLSAXHSBSTK-GAJNKVMBSA-N- 분자식
- C12H14ClN3O4
- 평균 분자량
- 299.71 g/mol
이름 및 식별자
- 우선 이름
- 4-Chloro-7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- (2R,3R,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
- 영어명
- 4-Chloro-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-Pyrrolo[2,3-d]pyrimidine
- 분자식
- C12H14ClN3O4
- 분자량
- 299.71026
이름 및 동의어
443642-33-94-chloro-7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine(2R,3R,4R,5R)-2-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol(2R,3R,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol4-Chloro-7-(2-C-methyl-?-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine4-CHLORO-7-(2-C-METHYL-B-D-RIBOFURANOSYL)-7H-PYRROLO[2,3-D]PYRIMIDINEorb1908870SCHEMBL1738408TNU0102YNVCLSAXHSBSTK-GAJNKVMBSA-N(2R,3R,4R,5R)-2-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)-3-methyloxolane-3,4-diolNC14084
이름 더 보기
4-Chloro-7-(2-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine4-Chloro-7-(2-β-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(2-C-methyl-β-D-ribofuranosyl)-4-Chloro-7-(2--C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d] pyrimidine4-Chloro-7-(2-b-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d] pyrimidine
4-Chloro-7-(2-beta-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d] pyrimidineDA-49702F12817
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 377
물리화학적 성질
- 녹는점
- 158 · 158-160 °C(Solv: water (7732-18-5))
- 끓는 점
- 570.5 · 570.5±50.0 °C(Predicted)
- 밀도
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.46 · 12.46±0.70(Predicted)
화학 및 산업
공급사14 곳
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