기본 정보
- CAS
154665-03-9- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(SCCC#N)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
WFXRMNGTFFJLSM-DCZZOZOESA-N- 분자식
- C39H47N3O7SSi
- 평균 분자량
- 730 g/mol
- 단동위원소 질량
- 729.29039855
이름 및 식별자
- 우선 이름
- 3-((1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-((tert-butyldimethylsilyl)oxy)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)thio)propanenitrile
- IUPAC
- 3-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]sulfanylpropanenitrile
- 영어명
- 3-(1-((2R,3S,4S,5R)-5-((bis(4-Methoxyphenyl)(phenyl)Methoxy)Methyl)-3-(tert-butyldiMethylsilyloxy)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyriMidin-4-ylthio)propanenitrile
- 분자식
- C39H47N3O7SSi
- 분자량
- 729.96
이름 및 동의어
154665-03-93-((1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-((tert-butyldimethylsilyl)oxy)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)thio)propanenitrile3-(1-((2R,3R,4R,5R)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-4-HYDROXYTETRAHYDROFURAN-2-YL)-2-OXO-1,2-DIHYDROPYRIMIDIN-4-YLTHIO)PROPANENITRILEF161253-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]sulfanylpropanenitrileUridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-4-S-(2-cyanoethyl)-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-4-thio- (9CI)3-(1-((2R,3S,4S,5R)-5-((bis(4-Methoxyphenyl)(phenyl)Methoxy)Methyl)-3-(tert-butyldiMethylsilyloxy)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyriMidin-4-ylthio)propanenitrile
데이터베이스 식별자
- CAS
154665-03-9
물성
구조 계산 물성
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,230
물리화학적 성질
- 끓는 점
- 802.678 · 802.678±75.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.189 · 1.189±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.321 · 13.321±0.70(predicted)
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