기본 정보
- CAS
5983-08-4- 표준 SMILES
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=S- InChIKey
AMSFVDRQDYZGRS-JGVFFNPUSA-N- 분자식
- C10H12N2O3S
- 평균 분자량
- 240.28 g/mol
- 단동위원소 질량
- 240.05686342
개요
moderately active in protecting HIV-induced cytopathogenicity of MT-2 and CEM cells; RN and structure given in first source
이름 및 식별자
- 우선 이름
- 2',3'-Didehydro-3'-deoxy-4-thiothymidine
- IUPAC
- 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
- 현지명
- 2',3'-디데히드로-3'-데옥시-4-티오티미딘
- 영어명
- 2',3'-didehydro-3'-deoxy-4-thiothymidine
- 분자식
- C10H12N2O3S
- 분자량
- 240.27888
이름 및 동의어
Ddethds2',3'-Didehydro-3'-deoxy-4-thiothymidine5983-08-4DTXSID30208557RefChem:80030DTXCID80131048CHEMBL868614-Thio-D4T1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-oneSCHEMBL30413619AMSFVDRQDYZGRS-JGVFFNPUSA-NBDBM50013110
이름 더 보기
2',3'-디데히드로-3'-데옥시-4-티오티미딘3,4-Dihydro-5-methyl-1-[(5β-hydroxymethyl-2,5-dihydrofuran)-2β-yl]-4-thioxopyrimidin-2(1H)-one
2',3',-Didehydro-3'-deoxy-4-thiothymidineThymidine, 2',3'-didehydro-3'-deoxy-4-thio-1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)-4-thiothymine1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (ddeThdS)1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
데이터베이스 식별자
- CAS
5983-08-4- PubChem CID
- 3000238
- DTXSID
DTXSID30208557- ChEMBL
CHEMBL86861- Nikkaji
- J264.460F
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 93.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 392
실험 및 물리화학적 성질
LogP0.09
관련 반응
1건
화합물 노트
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