基本信息
- 标准SMILES
CC(C)=CCOP(=O)(O)OP(=O)(O)O- InChIKey
CBIDRCWHNCKSTO-UHFFFAOYSA-N- 分子式
- C5H12O7P2
- 平均分子量
- 246.09 g/mol
- 单同位素质量
- 246.00582598
概述
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-).
名称与标识
- 首选名称
- Dimethylallyl Pyrophosphate
- IUPAC
- 3-methylbut-2-enyl phosphono hydrogen phosphate
- 中文名
- DMAPP
- 英文名
- GAMMA GAMMA-DIMETHYLALLYL PYROPHOSPHATE&
- 分子式
- C5H12O7P2
- 分子量
- 246.09
名称与别名
Dimethylallyl diphosphate358-72-5Prenyl diphosphateDimethylallyl pyrophosphate3,3-dimethylallyl pyrophosphate2-Isopentenyl diphosphate3-methylbut-2-enyl phosphono hydrogen phosphateMonoprenyl diphosphatedimethylallyl-PPCHEBI:16057Prenol pyrophosphatedelta2-Isopentenyl diphosphate
展开更多名称
焦磷酸二甲酯NH4+盐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
数据库标识
- CAS
358-72-5- PubChem CID
- 647
- DTXSID
DTXSID70189331- ChEMBL
CHEMBL343480- ChEBI
CHEBI:16057- Nikkaji
- J39.581A
性质
结构计算性质
- XLogP
- -1.1
- 极性表面积
- 113 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 299
实验与物化性质
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)]
物理化学性质
- 沸点
- 417 · 417.0±38.0 °C(Predicted)
- 密度
- 1.557 · 1.557±0.06 g/cm3(Predicted)
- 储存条件
- 20 °C · −20°C
- 酸度系数(pKa)
- 1.08 · 1.08±0.50(Predicted)
安全与法规
安全数据
- 安全说明
- 7-16-36/37-45
- 危险品标志
- T
- 危险类别码
- 10-23/24/25-39/23/24/25
- 危险品运输编号
- UN 1230 3/PG 2
化学与工业
药理信息
Tissue LocationsSkeletal Muscle
Cellular LocationsPeroxisome
Metabolite PathwaysAlendronate Action Pathway
应用领域
概述DMAPP (Dimethylallyl pyrophosphate) 是一种类异戊二烯前体。DMAPP，作为焦磷酸异戊酯 (IPP) 的异构体，存在于几乎所有的生命形式。
上下游产品信息
上游原料
下游产品
供应商3 家
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]
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