기본 정보
- CAS
112791-61-4- 표준 SMILES
O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O- InChIKey
MRVYFOANPDTYBY-UZAAGFTCSA-N- 분자식
- C6H16O18P4
- 평균 분자량
- 500.08 g/mol
- 단동위원소 질량
- 499.92871165
개요
1D-myo-inositol 3,4,5,6-tetrakisphosphate is a myo-inositol tetrakisphosphate having the four phosphate groups placed at the 3-, 4-, 5- and 6-positions. It has a role as a mouse metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 3,4,5,6-tetrakisphosphate(8-).
이름 및 식별자
- 우선 이름
- D-Myo-Inositol 3,4,5,6-Tetrakisphosphate
- IUPAC
- [(1S,2S,3R,4S,5R,6R)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
- 현지명
- 이노시톨-3,4,5,6-테트라키스포스페이트
- 영어명
- inositol-3,4,5,6-tetrakisphosphate
- 분자식
- C6H16O18P4
- 분자량
- 500.08
이름 및 동의어
1D-myo-Inositol 3,4,5,6-tetrakisphosphateD-myo-Inositol 3,4,5,6-tetrakisphosphateInositol 3,4,5,6-tetrakisphosphateCHEBI:15844[(1S,2S,3R,4S,5R,6R)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate((1S,2S,3R,4S,5R,6R)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl) dihydrogen phosphate(((1R,2S,3R,4S,5S,6R)-3,4-dihydroxy-2,5,6-tris(phosphonooxy)cyclohexyl)oxy)phosphonic acid{[(1R,2S,3R,4S,5S,6R)-3,4-dihydroxy-2,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acidRefChem:919569Ins(3,4,5,6)P3((1R,2S,3R,4R,5S,6S)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl) dihydrogen phosphate112791-61-4
이름 더 보기
이노시톨-3,4,5,6-테트라키스포스페이트inositol-3,4,5,6-tetrakisphosphateD-Myo-inositol, 3,4,5,6-tetrakis(dihydrogen phosphate)
Ins(3,4,5,6)P4121010-58-0Inositol-3,4,5,6-tetraphosphateIns-3,4,5,6-P4(1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis(dihydrogen phosphate)myo-Inositol-3,4,5,6-tetrakisphosphateCHEMBL23050Myo Inositol 3,4,5,6 Tetrakisphosphate
물성
구조 계산 물성
- XLogP
- -8.1
- 극성 표면적
- 308 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 664
실험 및 물리화학적 성질
LogP-7.268
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 978.079 · 978.079±75.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 2.32 · 2.320±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 1.605 · 1.605±0.10(predicted)
화학 및 산업
약리 정보
Metabolite PathwaysInositol phosphate metabolism
공급사6 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
추가 설명
정의ChEBI: A myo-inositol tetrakisphosphate having the four phosphate groups placed at the 3-, 4-, 5- and 6-positions.
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