Pip2(4',5')(8:0/8:0)
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기본 정보
- CAS
204858-53-7- 표준 SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCC- InChIKey
XLNCEHRXXWQMPK-MJUMVPIBSA-N- 분자식
- C25H49O19P3
- 평균 분자량
- 746.6 g/mol
- 단동위원소 질량
- 746.20809032
개요
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate and an octanoate ester. It is a conjugate acid of a 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5-).
이름 및 식별자
- 우선 이름
- Pip2(4',5')(8:0/8:0)
- IUPAC
- [(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
- 영어명
- PI(4,5)P2,DI C8
- 분자식
- C25H49O19P3
- 분자량
- 746.57
이름 및 동의어
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)CHEBI:84241Pip2(4',5')(8:0/8:0)PIP2[4',5'](8:0/8:0)RefChem:10956231,2-(dioctanoyl)-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate)204858-53-7[(2r)-2-Octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-Tris(Oxidanyl)-4,5-Diphosphonooxy-Cyclohexyl]oxy-Phosphoryl]oxy-Propyl] Octanoate[(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate(2R)-3-((Hydroxy(((1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl)oxy)phosphoryl)oxy)propane-1,2-diyl dioctanoate[(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoateD-myo-Inositol 1-[(2R)-2,3-bis[(1-oxooctyl)oxy]propyl hydrogen phosphate] 4,5-bis(dihydrogen phosphate)
이름 더 보기
PTDINS-4,5-P2(DIC8)L-ALPHA-D-MYO-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATEPHOSPHATIDYLINOSITOL BIS-4,5-PHOSPHATE,1,2-DIOCTANOYL
물성
구조 계산 물성보충 중
- XLogP
- -0.6
- 극성 표면적
- 303 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,080
실험 및 물리화학적 성질
Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoinositol bisphosphates [GP08] -> Diacylglycerophosphoinositol bisphosphates [GP0801]
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoinositol bisphosphates [GP08] -> Diacylglycerophosphoinositol bisphosphates [GP0801]
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoinositol bisphosphates [GP08] -> Diacylglycerophosphoinositol bisphosphates [GP0801]
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoinositol bisphosphates [GP08] -> Diacylglycerophosphoinositol bisphosphates [GP0801]
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoinositol trisphosphates [GP09] -> Diacylglycerophosphoinositol trisphosphates [GP0901]
물리화학적 성질
- 끓는 점
- 906.2 · 906.2±75.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 2 O: · H2O: 용해성
- 산도 계수 (pKa)
- 1.35 · 1.35±0.50(Predicted)
- 물리적 상태
- powder
- 수용성
- 2 O: · H2O: soluble
- InChIKey
- XLNCEHRXXWQMPK-MJUMVPIBSA-N
- SMILES
- CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
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