기본 정보
- CAS
133471-07-5- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(Oc5ccccc5)ncnc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
MVDGBHSFCSFDSA-FPRICFGYSA-N- 분자식
- C46H51N6O7P
- 평균 분자량
- 830.9 g/mol
이름 및 식별자
- 우선 이름
- 3-[[(2R,3S,5R)-2-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-phenoxypurin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- IUPAC
- 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-phenoxypurin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- 영어명
- 5'-O-(4,4'-Dimethoxytrityl)-O6-phenyl-2'-deoxyinosine, 3'-[(2-cyanoethyl)-(N,N-diisopropyl)]phosphoramidite
- 분자식
- C46H51N6O7P
- 분자량
- 830.91
이름 및 동의어
133471-07-53-[[(2R,3S,5R)-2-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-phenoxypurin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile(2R,3S,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-phenoxy-9H-purin-9-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite5'-O-(4,4'-DIMETHOXYTRITYL)-O6-PHENYL-2'-DEOXYINOSINE, 3'-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITEO6-PHENYL-DL CEPO6-Phenyl-dI CEP3′-Nucleotide phosphodiesteraseO6-Phenyl-dI-CE PhosphoramiditeO6-Phenyl-5'-Dimethoxytrityl-2'-deoxyInosine,3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite3'-O-[(DiisopropylaMino)(2-cyanoethoxy)phosphino]-5'-O-(4,4'-diMethoxytrityl)-O6-phenyl-2'-deoxyinosineInosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-6-O-phenyl-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
데이터베이스 식별자
- CAS
133471-07-5
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,280
물리화학적 성질
- 끓는 점
- 854.595 · 854.595±75.00 °C(Press: 760.00 Torr)(predicted)
- 산도 계수 (pKa)
- 3.455 · 3.455±0.70(predicted)
화학 및 산업
공급사4 곳
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