기본 정보
- CAS
2140-69-4- 표준 SMILES
Cn1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O- InChIKey
UTQUILVPBZEHTK-ZOQUXTDFSA-N- 분자식
- C10H14N2O6
- 평균 분자량
- 258.23 g/mol
- 단동위원소 질량
- 258.08518617
개요
isolated from normal human urine & is a minor constituent of tRNA form yeast, rat and human liver; structure
이름 및 식별자
- 우선 이름
- 3-Methyluridine
- IUPAC
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
- 현지명
- 3-메틸유리딘
- 영어명
- 3-Methyl uridine
- 분자식
- C10H14N2O6
- 분자량
- 258.23
이름 및 동의어
3-Methyluridine2140-69-4DTXSID201316911RefChem:94979DTXCID5017467331-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneN3-MethyluridineUridine, 3-methyl-N-3-MethyluridineSCHEMBL158123EX-A3664MFCD07778657
이름 더 보기
3-메틸유리딘Nsc 246077RNA-modified?nucleoside?m3UUridine, 3-methyl- (8ci)(9ci)3-Methyluridine, 10 mM in DMSO3Methyluridine,N3-Methyluridine,RNA,m3U,3-Methyluridine,RNA modification,Inhibitor,18S,16S rRNA,25S,23S rRNA,3 Methyluridine,Endogenous Metabolite,inhibit
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-methylpyrimidine-2,4(1H,3H)-dione1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidine-2,4-dioneN3-Methyluridine; NSC 246077; 3-?Methyl-uridine3-methyl uridineN3-Methyl-D-uridineorb1308887
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 398
실험 및 물리화학적 성질
Collision Cross Section164.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 녹는점
- 108 · 108-110 °C
- 끓는 점
- 501.1 · 501.1±60.0 °C(Predicted)
- 밀도
- 1.605 · 1.605±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO (Slightly, Heated), Methanol (Slightly, Heated), Water (Slightly, Sonicated)
- 산도 계수 (pKa)
- 13.26 · 13.26±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1
- InChIKey
- UTQUILVPBZEHTK-ZOQUXTDFSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=CC(=O)N(C)C2=O)[C@H](O)[C@@H]1O
화학 및 산업
응용 분야
용도3-Methyluridine can be used in biological and analytical studies of comprehensive profiling of ribonucleosides modification by affinity zirconium oxide-silica composite monolithic column online solid-phase microextraction - mass spectrometry analysis.
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