기본 정보
- 표준 SMILES
CC(C)=CCOP(=O)(O)OP(=O)(O)O- InChIKey
CBIDRCWHNCKSTO-UHFFFAOYSA-N- 분자식
- C5H12O7P2
- 평균 분자량
- 246.09 g/mol
- 단동위원소 질량
- 246.00582598
개요
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a prenyl diphosphate(3-).
이름 및 식별자
- 우선 이름
- Dimethylallyl Pyrophosphate
- IUPAC
- 3-methylbut-2-enyl phosphono hydrogen phosphate
- 영어명
- GAMMA GAMMA-DIMETHYLALLYL PYROPHOSPHATE&
- 분자식
- C5H12O7P2
- 분자량
- 246.09
이름 및 동의어
Dimethylallyl diphosphate358-72-5Prenyl diphosphateDimethylallyl pyrophosphate3,3-dimethylallyl pyrophosphate2-Isopentenyl diphosphate3-methylbut-2-enyl phosphono hydrogen phosphateMonoprenyl diphosphatedimethylallyl-PPCHEBI:16057Prenol pyrophosphatedelta2-Isopentenyl diphosphate
이름 더 보기
Dimethylallylpyrophosphate3,3-dimethylallylpyrophosphate3-Methyl-2-butene-1-ol diphosphateDIMETHYLALLYL PYROPHOSPHATE, NH4+ saltPyrophosphoric acid α-isopentenyl esterGAMMA GAMMA-DIMETHYLALLYL PYROPHOSPHATE&Diphosphoric acid α-(3-methyl-2-butenyl) esterDiphosphoric acid P1-(3-methyl-2-butenyl) ester
DTXSID70189331di-CH3-allyl-PPiDMADP cpd(3-methylbut-2-enoxy-oxidophosphoryl) phosphateRefChem:868481DTXCID00219650delta-Prenyl diphosphateprenyl diphosphate trianion
데이터베이스 식별자
- CAS
358-72-5- PubChem CID
- 647
- DTXSID
DTXSID70189331- ChEMBL
CHEMBL343480- ChEBI
CHEBI:16057- Nikkaji
- J39.581A
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 299
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C5 isoprenoids (hemiterpenes) [PR0101]
Melting Point234 - 238 °C
Physical DescriptionSolid
Collision Cross Section143.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 끓는 점
- 417 · 417.0±38.0 °C(Predicted)
- 밀도
- 1.557 · 1.557±0.06 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 산도 계수 (pKa)
- 1.08 · 1.08±0.50(Predicted)
안전 및 규제
안전 데이터
- ridadr
- UN 1230 3/PG 2
- risk_code
- 10-23/24/25-39/23/24/25
- hazard_code
- T
- safety_code
- 7-16-36/37-45
화학 및 산업
약리 정보
Tissue LocationsSkeletal Muscle
Cellular LocationsPeroxisome
Metabolite PathwaysAlendronate Action Pathway
상·하류 제품 정보
상류 원료
하류 제품
공급사3 곳
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
추가 설명
정의ChEBI: A phosphoantigen comprising the O-pyrophosphate of prenol.
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