기본 정보
- CAS
133488-19-4- 표준 SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N1C(=O)c2ccccc2C1=O- InChIKey
WNXAFBFUDGBOTL-YRXWBPOGSA-N- 분자식
- C23H23N3O9
- 평균 분자량
- 485.4 g/mol
- 단동위원소 질량
- 485.14342932
이름 및 식별자
- 우선 이름
- 2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-methyl-
- IUPAC
- [(2R)-2-acetyloxy-2-[(2S,3R,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
이름 및 동의어
133488-19-42,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-5-methyl-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-alpha-D-arabino-hexafuranosyl)thymineDiOAcPhthN-D-arab-ddT deriv.DTXSID609281351-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-.alpha.-D-arabino-hexafuranosyl)thymine[(2R)-2-acetoxy-2-[(2S,3R,5S)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-.alpha.-D-arabino-hexofuranosyl]-5-methyl-
데이터베이스 식별자
- CAS
133488-19-4- PubChem CID
- 452872
- DTXSID
DTXSID60928135- Nikkaji
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 969
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