기본 정보
- CAS
157327-96-3- 표준 SMILES
COc1ccc(C(OC[C@@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
QRUYOSQSJHNNHF-UOMJVJLHSA-N- 분자식
- C46H52N5O8P
- 평균 분자량
- 833.9 g/mol
이름 및 식별자
- 우선 이름
- N-[1-[(2R,3R,5S)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
- IUPAC
- N-[1-[(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
- 영어명
- 3'-dC CEP
- 분자식
- C46H52N5O8P
- 분자량
- 833.91
이름 및 동의어
157327-96-3N-[1-[(2R,3R,5S)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide3'-dC(Bz)-2'-phosphoramidite3'-dC(Bz)-2'-phosphor amidite(2R,3R,5S)-2-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite3'-dCorb19075883a?dC(Bz)-2a?phosphor amiditeTNU1417AT44069BP-40009DA-49529
이름 더 보기
3'-dC CEP3'-dC-CE Phosphoramidite3’-dC(Bz)-2’-phosphoramiditeN6-Benzoyl-5'-O-DMT-3'-deoxycytidine 2'-CE phosphoramiditeN6-Benzoyl-3'-deoxy-5'-O-DMT-cytidine 2'-CE phosphoramiditeN4-Benzoyl-5’-O-(4,4-dimethoxytrityl)-3’-deoxycytidine-2’-CED-phosphoramidite5'-Dimethoxytrityl-N-benzoyl-3'-deoxyCytidine,2'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite4-N-benzoyl-3'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine 2-cyanoethyl N,N-diisopropylphosphoramidite
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,440
물리화학적 성질
- 용해도
- 1 · DMSO: Sparingly Soluble: 1-10 mg/mlEthanol: Sparingly Soluble: 1-10 mg/ml
- 산도 계수 (pKa)
- 8.58 · 8.58±0.20(Predicted)
화학 및 산업
공급사20 곳
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