기본 정보
- CAS
146954-75-8- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
HQHQPAYRJJMYQX-DJTPZYMWSA-N- 분자식
- C39H46FN4O8P
- 평균 분자량
- 748.8 g/mol
- 단동위원소 질량
- 748.3037296
이름 및 식별자
- 우선 이름
- 3-(((2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)-phenylmethoxy)methyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl)oxy-(di(propan-2-yl)amino)phosphanyl)oxypropanenitrile
- IUPAC
- 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- 영어명
- DMT-2′Fluoro-dU Phosphoramidite
- 분자식
- C39H46FN4O8P
- 분자량
- 748.78
이름 및 동의어
3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile3-(((2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)-phenylmethoxy)methyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl)oxy-(di(propan-2-yl)amino)phosphanyl)oxypropanenitrile3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-(di(propan-2-yl)amino)phosphanyl]oxypropanenitrileRefChem:487917890-263-5146954-75-82'-F-dU PhosphoramiditeDMT-2'Fluoro-dU PhosphoramiditeMFCD11113919DMT-2 inverted exclamation markaFluoro-dU PhosphoramiditeUridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]C72792
이름 더 보기
DMT-2'-F-dU-CE Phosphoramidite2‘-F-U amidite2'-Fluoro-dU CEP2’-F-dU Amidite2’-F-rUPhosphoramidite5'-O-DMT-2'-fluoro-dU-CE5'-O-DMT-2'-F-dU-3'-CEDPA
(2R,3R,4R,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluorotetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile5'-O-(4,4'-Dimethoxytrityl)-2'-fluoro-2'-deoxyuridine-3'-(2-cyanoethyl diisopropylphosphoramidite)5/'-O-(4,4-Dimethoxytrityl)-2/'-deoxy-2/'-fluorouridine-3/'-(2-cyanoethyl-N,N-diisopropyl)phosphoram2'-F-dUPhosphoramidite2'-F-dU-CE-PhosphoramiditeDMT-2'Fluoro-dU Phosphoramidite, configured for ABI2'-F-U Phosphoramidite
데이터베이스 식별자
- CAS
146954-75-8- PubChem CID
- 9810693
- DTXSID
DTXSID10430990- UNII
- Y832PKY7E3
- EC Number
- 890-263-5
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,230
물리화학적 성질
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 1 · DMSO: Sparingly soluble: 1-10 mg/mlEthanol: Sparingly soluble: 1-10 mg/ml
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.39 · 9.39±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- non-animal source (no BSE/TSE risk)
- InChIKey
- HQHQPAYRJJMYQX-YOKGOYKLNA-N
- SMILES
- N1(C=CC(=O)NC1=O)[C@@H]1O[C@H](COC(C2=CC=CC=C2)(C2C=CC(=CC=2)OC)C2=CC=C(C=C2)OC)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]1F |&1:8,10,36,51,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
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추가 설명
정의DMT-2′Fluoro-dU Phosphoramidite is also known as 2'-F-U CE-Phosphoramidite. 2'-F-RNA oligonucleotides adopt an A-form helix on hybridisation to a target. Whereas a hydroxyl group of RNA is a hydrogen bond donor, fluorine appears to be a weak acceptor. These features of 2'-F-RNA oligonucleotides lead to certain interesting properties. For example, it was demonstrated that oligonucleotides hybridise to a RNA oligonucleotide in the following order of increasing stability: DNA < RNA < 2'-OMe-RNA < 2'-F-RNA
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