기본 정보
- CAS
290371-75-4- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(Cc4ccc(OC)cc4OC)c3=O)C[C@H]2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
LIJCQHAPZLHFHU-QPHPTHAZSA-N- 분자식
- C46H45N3O13S
- 평균 분자량
- 879.9 g/mol
- 단동위원소 질량
- 879.26730967
이름 및 식별자
- 우선 이름
- (2R,3R,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(3-(2,4-dimethoxybenzyl)-5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl 4-nitrobenzenesulfonate
- IUPAC
- [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-nitrobenzenesulfonate
- 영어명
- 2,4(1H,3H)-PYRIMIDINEDIONE,1-[5-O-[BIS(4-METHOXYPHENYL)PHENYLMETHYL]-2-DEOXY-3-O-[(4-NITROPHENYL)SULFONYL]-BETA-D-THREO-PENTOFURANOSYL]-3-[(2,4-DIMETHOXYPHENYL)METHYL]-5-METHYL-
- 분자식
- C46H45N3O13S
- 분자량
- 879.93
이름 및 동의어
(2R,3R,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(3-(2,4-dimethoxybenzyl)-5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl 4-nitrobenzenesulfonate(2R,3R,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(3-(2,4-dimethoxybenzyl)-5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl4-nitrobenzenesulfonate3-N-(2,4-dimethoxybenzyl)-1-[5-O-(4,4'-dimethoxytrityl)-3-O-nosyl-2-deoxy-beta-d-lyxofuranosyl]thymineDimethylbenzyl-FLT-precursorDimethoxybenzyl-FLT-precursorDimethoxybenzyl-FLT-precursor290371-75-4N-(2,4-DIMETHOXYBENZYL)-5'-O-DIMETHOXYTRITYL-3'-O-NOSYL-THYMIDINE3-N-(2,4-Dimethylbenzyl)-1-[5-O-DMT)-3-O-nitrophenylsulphonyl-2-deoxy-b-D-lyxofuranosyl]thymidine2,4-(1H,3H)-Pyrimidinedione, 1-[5-O-[bis(4-methoxy-phenyl)phenylmethyl]-2-deoxy-3-O-[(4-nitrophenyl)sulfonyl]-3-N-(2,4-DIMETHOXYBENZYL)-1-[5-O-(4,4'-DIMETHOXYTRITYL)-3-O-NITROPHENYLSULFONYL-2-DEOXY-BETA-D-LYXOFURANOSYL]THYMIDINE3-N-(2,4-Dimethoxybenzyl)-1-[5-O-(4,4''-dimethoxytrityl)-3-O-nitrophenylsulfonyl-2-deoxy-beta-D-lyxofuranosyl]thymidine
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,650
물리화학적 성질
- 끓는 점
- 944.9 · 944.9±75.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.23 · -2.23±0.40(Predicted)
화학적 성질
Yellowish to orange foam
화학 및 산업
응용 분야
용도Dimethoxybenzyl-FLT-precursor is a reactant or reagent used in nucleophillic radiofluorination.
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