기본 정보
- CAS
147190-34-9- 표준 SMILES
COc1ccc(C(OCC(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)COP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
GMVCCUAXEMZEJE-UHFFFAOYSA-N- 분자식
- C47H66N5O7PS
- 평균 분자량
- 876.1 g/mol
- 단동위원소 질량
- 875.44205763
이름 및 식별자
- 우선 이름
- 2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-6-(5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexyl (2-cyanoethyl) diisopropylphosphoramidite
- IUPAC
- N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
- 영어명
- Phosphoramidous acid, bis(1-methylethyl)-, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-5-yl)-1-oxopentyl]amino]hexyl 2-cyanoethyl ester (9CI)
- 분자식
- C47H66N5O7PS
- 분자량
- 876.1
이름 및 동의어
147190-34-92-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-6-(5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexyl (2-cyanoethyl) diisopropylphosphoramiditeN-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamideDTXSID101098689BP-22491Phosphoramidous acid, bis(1-methylethyl)-, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-5-yl)-1-oxopentyl]amino]hexyl 2-cyanoethyl esterBiotin CE Phosphoramidite1-Dimethoxytrityloxy-2-(N-biotinyl-4-aminobutyl)-propyl-3-O-(2-cyanoethyl)-(N,N-diisopropyl)-phosphoramiditePhosphoramidous acid, bis(1-methylethyl)-, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-5-yl)-1-oxopentyl]amino]hexyl 2-cyanoethyl ester (9CI)
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,300
물리화학적 성질
- 끓는 점
- 951.8 · 951.8±65.0 °C(Predicted)
- 산도 계수 (pKa)
- 13.9 · 13.90±0.40(Predicted)
화학 및 산업
공급사12 곳
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