N6-Benzoyl-2'-tert-butyldimethylsilyl-7-deaza-5'-O-DMT-adenosine 3'-CE phosphoramidite
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
144994-95-6- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
MUWOVNLLXDFHQS-QUWBCMLWSA-N- 분자식
- C54H67N6O8PSi
- 평균 분자량
- 987.2 g/mol
- 단동위원소 질량
- 986.45272665
이름 및 식별자
- 우선 이름
- N6-Benzoyl-2'-tert-butyldimethylsilyl-7-deaza-5'-O-DMT-adenosine 3'-CE phosphoramidite
- IUPAC
- N-[7-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
- 영어명
- 7-Deaza-A CEP
- 분자식
- C54H67N6O8PSi
- 분자량
- 987.21
이름 및 동의어
144994-95-67-DEAZA-A CEPN6-Benzoyl-2'-tert-butyldimethylsilyl-7-deaza-5'-O-DMT-adenosine 3'-CE phosphoramiditeN-[7-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]benzamide7-Deaza-Adenosine CEPSCHEMBL29881321PB09122(2R,3R,4R,5R)-5-(4-Benzamido-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramiditeN6-Benzoyl-2'-tert-butyldimethylsilyl-7-deaza-5'-O-DMT-D-adenosine 3'-CE phosphoramiditeBenzamide, N-[7-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[7-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[(1,1-dimethylethyl)dimethylsilyl]-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
물성
구조 계산 물성보충 중
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,620
물리화학적 성질
- 끓는 점
- 880.8 · 880.8±65.0 °C(Predicted)
- 산도 계수 (pKa)
- 9.62 · 9.62±0.43(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…