(2R,3S,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2,4-dioxo-5-((E)-3-oxo-3-((6-(2,2,2-trifluoroacetamido)hexyl)amino)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite

HCID 178530737

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 210534-16-0
표준 SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3cc(/C=C/C(=O)NCCCCCCNC(=O)C(F)(F)F)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey: XHGOWDJUVKONLU-HAKODNTASA-N
분자식: C50H62F3N6O10P
평균 분자량: 995 g/mol
단동위원소 질량: 994.42171368

이름 및 식별자

우선 이름: (2R,3S,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2,4-dioxo-5-((E)-3-oxo-3-((6-(2,2,2-trifluoroacetamido)hexyl)amino)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
IUPAC: (E)-3-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide
영어명: 5-[E-2-[N-[6-(TRIFLUOROACETAMIDO)HEXYL]CARBOXAMIDO]VINYL]-5'- O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXYURIDINE, 3'-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE
분자식: C50H62F3N6O10P
분자량: 995.03

이름 및 동의어

210534-16-0(2R,3S,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2,4-dioxo-5-((E)-3-oxo-3-((6-(2,2,2-trifluoroacetamido)hexyl)amino)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite(E)-3-[1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamideAmino-Modifier C6 dTAmino-modifier C6 dT Phosphoramiditeorb3237697SCHEMBL29414478XHGOWDJUVKONLU-HAKODNTASA-NAMINO-MODIFIER-C 6-DT CEPAmino-modifier-C6-dT-CE-Phosphoramidite5-[E-2-[N-[6-(TRIFLUOROACETAMIDO)HEXYL]CARBOXAMIDO]VINYL]-5'- O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXYURIDINE, 3'-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITEUridine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-5-[(1E)-3-oxo-3-[[6-[(trifluoroacetyl)amino]hexyl]amino]-1-propenyl]-, 3'-[2-cyanoethylbis(1-methylethyl)phosphoramidite]

이름 더 보기

H415745'-Dimethoxytrityl-5-[N-(trifluoroacetylaminohexyl)-3-acrylimido]-Uridine, 2'-O-triisopropylsilyloxymethyl-3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite5-[E-2-[N-[6-(TRIFLUOROACETAMIDO)HEXYL]CARBOXAMIDO]VINYL]-5- O-(4,4-DIMETHOXYTRITYL)-2-DEOXYURIDINE, 3-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITEUridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-5-[(1E)-3-oxo-3-[[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]-1-propen-1-yl]-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]Uridine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-5-[(1E)-3-oxo-3-[[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]-1-propen-1-yl]-,3'-[2-cyanoethylN,N-bis(1-methylethyl)phosphoramidite]

데이터베이스 식별자

CAS: 210534-16-0
PubChem CID: 12009719

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 190 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 15
회전 가능 결합 수: 26
무거운 원자 수: 70
형식 전하: 0
복잡도: 1,760

물리화학적 성질

산도 계수 (pKa): 8.628 · 8.628±0.10(predicted)

화학 및 산업

공급사20 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

安徽仕通生物科技有限公司15555170917

天津普西唐生物医药科技有限公司010-60605840 · [email protected]

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