기본 정보
- CAS
56983-25-6- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O- InChIKey
CPTLFMDLEWCNMJ-KPKSGTNCSA-N- 분자식
- C19H28N7O24P5
- 평균 분자량
- 893.3 g/mol
이름 및 식별자
- 우선 이름
- P1-(adenosine-5'-P5-(uridine-5')pentaphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
- 영어명
- AP5U
- 분자식
- C19H28N7O24P5
- 분자량
- 893.33
이름 및 동의어
P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) (((((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl) hydrogen phosphateRefChem:858273UP556983-25-6orb64068orb1733910DB03664PD059574NS00073737[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
이름 더 보기
AP5UFITC-labeled DrisapersenAdenosine 5'-(hexahydrogen pentaphosphate), P''''→5'-ester with uridine
물성
구조 계산 물성
- XLogP
- -9.8
- 극성 표면적
- 460 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,750
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 2.61 · 2.61±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.66 · 0.66±0.50(Predicted)
화학 및 산업
공급사2 곳
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences16314854226 · [email protected]
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