2',3'-O-이소프로필리덴-5-피롤리디노메틸-2-티오우리딘
1-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-5-(pyrrolidin-1-ylmethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
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기본 정보
- CAS
89845-82-9- 표준 SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cc(CN2CCCC2)c(=O)[nH]c1=S- InChIKey
IFJTVPASSJKUFD-RGCMKSIDSA-N- 분자식
- C17H25N3O5S
- 평균 분자량
- 383.5 g/mol
이름 및 식별자
- 우선 이름
- 1-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-5-(pyrrolidin-1-ylmethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- IUPAC
- 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(pyrrolidin-1-ylmethyl)-2-sulfanylidenepyrimidin-4-one
- 현지명
- 2',3'-O-이소프로필리덴-5-피롤리디노메틸-2-티오우리딘
- 영어명
- 2',3'-O-Isopropylidene-5-pyrrolidinoMethyl-2-thiouridine
- 분자식
- C17H25N3O5S
- 분자량
- 383.46
이름 및 동의어
89845-82-91-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-5-(pyrrolidin-1-ylmethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one2',3'-o-isopropylidene-5-pyrrolidinomethyl-2-thiouridine1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(pyrrolidin-1-ylmethyl)-2-sulfanylidenepyrimidin-4-oneorb1908298SCHEMBL3700730TNU06981-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-5-[(pyrrolidin-1-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-oneDA-69650F128162',3'-O-이소프로필리덴-5-피롤리디노메틸-2-티오우리딘2’,3’-O-Isopropylidene-5-pyrrolidinomethyl-2-thiouridine
이름 더 보기
2',3'-Di-O-isopropylidene-5-pyrrolidinomethyl-2-thiouridine2’,3’-Di-O-isopropylidene-5-pyrrolidinomethyl-2-thiouridine2',3'-O-(1-Methylethylidene)-5-(1-pyrrolidinylmethyl)-2-thiouridineUridine, 2',3'-O-(1-methylethylidene)-5-(1-pyrrolidinylmethyl)-2-thio-
데이터베이스 식별자
- CAS
89845-82-9
물성
구조 계산 물성보충 중
- XLogP
- -0.4
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 634
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.45 · 6.45±0.23(Predicted)
관련 반응
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