SPC3649 Parent Acid
기본 정보
- CAS
1072874-90-8- 표준 SMILES
Cc1cn(C2CC(OP(O)(=S)OCC34COC(C(n5cnc6c(=O)[nH]c(N)nc65)O3)C4OP(O)(=S)OCC34COC(C(n5cc(C)c(=O)[nH]c5=O)O3)C4OP(O)(=S)OCC3OC(n4ccc(N)nc4=O)CC3OP(O)(=S)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(O)(=S)OCC34COC(C(n5ccc(N)nc5=O)O3)C4OP(O)(=S)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(O)(=S)OCC34COC(C(n5ccc(N)nc5=O)O3)C4OP(O)(=S)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(O)(=S)OCC34COC(C(n5ccc(N)nc5=O)O3)C4OP(O)(=S)OCC34COC(C(n5ccc(N)nc5=O)O3)C4O)C(COP(O)(=S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(O)(=S)OC3C4OCC3(COP(O)(=S)OC3CC(n5ccc(N)nc5=O)OC3COP(O)(=S)OC3C5OCC3(CO)OC5n3ccc(N)nc3=O)OC4n3cnc4c(N)ncnc43)O2)c(=O)[nH]c1=O- InChIKey
OSOOBMBDIGGTCP-UHFFFAOYSA-N- 분자식
- C151H185N49O83P14S14
- 평균 분자량
- 4,897 g/mol
- 단동위원소 질량
- 4,893.4178349
이름 및 식별자
- 우선 이름
- SPC3649 Parent Acid
- IUPAC
- 1-[4-[[3-[[3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[7-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-(4-amino-2-oxopyrimidin-1-yl)-7-[[3-[[3-(4-amino-2-oxopyrimidin-1-yl)-7-[[3-[[3-(4-amino-2-oxopyrimidin-1-yl)-7-[[3-(4-amino-2-oxopyrimidin-1-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[1-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[3-(4-amino-2-oxopyrimidin-1-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- 영어명
- SPC-3649
- 분자량
- 0
이름 및 동의어
Miravirsen [INN]SPC3649 Parent AcidUNII-Q083AJW7VSSCHEMBL29405997GTPL13534DA-55499MiravirsenSPC-3649MilavisonMiravirsen(Synonyms:SPC-3649)
데이터베이스 식별자
- CAS
1072874-90-8- PubChem CID
- 56843415
물성
구조 계산 물성
- XLogP
- -12.2
- 극성 표면적
- 2,150 Ų
- 수소 결합 공여자 수
- 32
- 수소 결합 수용자 수
- 111
- 회전 가능 결합 수
- 86
- 무거운 원자 수
- 311
- 형식 전하
- 0
- 복잡도
- 14,200
물리화학적 성질
- 저장 조건
- -20 °C, · Store at -20°C, stored under nitrogen
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
- 수용성
- 100 mg/mL · Water : 100 mg/mL (20.13 mM; Need ultrasonic)
관련 반응
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