기본 정보
- CAS
90015-82-0- 표준 SMILES
NCCCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
CTDNMWQIQIIADL-IVZWLZJFSA-N- 분자식
- C12H22N3O14P3
- 평균 분자량
- 525.24 g/mol
- 단동위원소 질량
- 525.03146338
이름 및 식별자
- 우선 이름
- ((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
- IUPAC
- [[(2R,3S,5R)-5-[5-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- 영어명
- ((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
- 분자식
- C12H20N3O14P3
- 분자량
- 523.22
이름 및 동의어
90015-82-0((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate[[(2R,3S,5R)-5-[5-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSCHEMBL337097DTXSID50628657AKOS0160031405-(3-Aminopropyl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)5-(3-Amino-1-propenyl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)Uridine 5'-(tetrahydrogen triphosphate), 5-(3-amino-1-propenyl)-2'-deoxy-((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrof((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H) -yl)-3-hydroxytetrahydrofur((2R,3S,5R)-5-(5-(3-AMinoprop-1-en-1-yl)-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)Methyl tetrahydrogen triphosphate
이름 더 보기
((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyltetrahydrogentriphosphate((2R,3S,5R)-5-(5-(3-Aminopropyl)-2,4-dioxo-3,4-dihydrop...
물성
구조 계산 물성
- XLogP
- -8
- 극성 표면적
- 265 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 905
물리화학적 성질
- 밀도
- 1.934 · 1.934±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.97 · 0.97±0.50(Predicted)
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