1-[3'-O-[(4,4'-dimethoxytriphenyl)methyl]-a-L-threofuranosyl]-N4-benzoylcytosine
기본 정보
- CAS
325683-91-8- 표준 SMILES
COc1ccc(C(O[C@H]2CO[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
DUUUIECLFYEGNZ-DEIXXNFJSA-N- 분자식
- C36H33N3O7
- 평균 분자량
- 619.7 g/mol
이름 및 식별자
- 우선 이름
- 1-[3'-O-[(4,4'-dimethoxytriphenyl)methyl]-a-L-threofuranosyl]-N4-benzoylcytosine
- IUPAC
- N-[1-[(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
- 영어명
- N-[1-[(2R,3R,4S)-4-[Bis(4-methoxyphenyl)phenylmethoxy]tetrahydro-3-hydroxy-2-furanyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-benzamide
- 분자식
- C36H33N3O7
- 분자량
- 619.66
이름 및 동의어
1-[3'-O-[(4,4'-dimethoxytriphenyl)methyl]-a-L-threofuranosyl]-N4-benzoylcytosineN-(1-((2R,3R,4S)-4-(Bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamideorb1907382TNU16283'-O-DMT-N-Bz-C-TNA1-[3’-O-[(4,4’-dimethoxytriphenyl)methyl]-a-L-threofuranosyl]-N4-benzoylcytosineN4-BENZOYL-1-{3`-O-[(4``,4```-DIMETHOXYTRIPHENYL)METHYL]--L -THREOFURANOSYLCYTOSINEN-(1-(4-(Bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamideN-[1-[(2R,3R,4S)-4-[Bis(4-methoxyphenyl)phenylmethoxy]tetrahydro-3-hydroxy-2-furanyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-benzamideBenzamide, N-[1-[(2R,3R,4S)-4-[bis(4-methoxyphenyl)phenylmethoxy]tetrahydro-3-hydroxy-2-furanyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
데이터베이스 식별자
- CAS
325683-91-8- Nikkaji
- J1.852.980G
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 밀도
- 1.28 · 1.28±0.1 g/cm3 (20 ºC 760 Torr)
- 산도 계수 (pKa)
- 8.603 · 8.603±0.20(predicted)
관련 반응
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