N-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

HCID 70700565
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부분 구조 검색유사 구조 찾기

기본 정보

CAS
154771-33-2
표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
RAIBEZUVTIPFOJ-SHERYBNQSA-N
분자식
C37H34FN3O7
평균 분자량
651.7 g/mol
단동위원소 질량
651.23807865

이름 및 식별자

우선 이름
N-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
IUPAC
N-[1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
영어명
N-[1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]benzamide
분자식
C37H34FN3O7
분자량
651.68

이름 및 동의어

154771-33-2DMT-2'-F-Bz-dCN-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamideN-[1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamideN-[1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]benzamideN-[1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-beta-D-arabinofuranosyl]-1,2-dihydro-2C37H34FN3O7RAIBEZUVTIPFOJ-SHERYBNQSA-NMFCD23135324orb1907829DTXSID60743380TNU1175
이름 더 보기
5'-DMT-2'-F-Bz-dC5'-O-DMT-N4-Bz-2'-F-ara-2'-dC5-O-DMT-N4-benzoyl-2'-Fluoro-β-D-arabinofuranosyl-1-[2-FLUORO-2-DEOXY-5-O-DMTr-Β-D- ARABINOFURANOSYL]-N4-BENZOYL-CYTOSINEN4-Benzoyl-5’-O-(4,4’-dimethoxytrityl)-2’-deoxy-2’-fluoro-β-DarabinocytidineN4-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxy-2'-fluoro-b-D-arabinocytidine
N-{1-[(2R,3S,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}benzamide5-O-DMT-N4-Bz-2-ara-F-2-dC5-O-(4,4'-dimethoxytrityl)-N4-benzoyl-2'-fluoro-beta-D-arabinofuranosyl-2'-deoxycytidineAS-92858DA-49880n-(1-((2r,3s,4r,5r)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrof5'-O-DMT-N4-Bz-2'-ara-F-2'-dCN4-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxy-2'-fluoro--D-arabinocytidine

데이터베이스 식별자

CAS
154771-33-2
PubChem CID
70700565
DTXSID
DTXSID60743380

물성

구조 계산 물성

XLogP
5.9
극성 표면적
119 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
11
무거운 원자 수
48

물리화학적 성질

밀도
1.3 · 1.30
저장 조건
2 · 2-8°C
산도 계수 (pKa)
8.52 · 8.52±0.20(Predicted)

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

공급사38 곳

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