Basic information
- CAS
122341-56-4- Standard SMILES
COC1(c2cccc(OP(=O)(O)O)c2)OOC12C1CC3CC(C1)CC2C3- InChIKey
XYIPYISRNJUPBA-UHFFFAOYSA-N- Molecular formula
- C18H23O7P
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 382.11814007
Overview
chemiluminescent substrate for alkaline phosphatase
Names & identifiers
- Preferred name
- 3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane
- IUPAC
- [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate
- English name
- AMPPD
- Molecular formula
- C18H23O7P
- Molecular weight
- 382.35
Names & synonyms
AMPPD122341-56-4Ppd-substrate3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane4-Methoxy-4-(3-phosphatephenyl)spiro(1,2-dioxetane)-3,2'-adamantaneRefChem:921003-(4-methoxyspiro(1,2-dioxetane-3,2'--tricyclo(3.3.1.1(3,7))decan)-4-yl)phenyl phosphate3-(4'-Methoxyspiro[adamantane-2,3'-[1,2]dioxetan]-4'-yl)phenyl dihydrogen phosphate[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphateMFCD08704558AMPDDPhenol, 3-(4-methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.13,7]decan]-4-yl)-, 1-(dihydrogen phosphate)
Show more names
3-[2-spiroadamatane]-4-methoxy-4-[3-phosphoryloxy]-phenyl-1,2-dioxetaneLumi-Phos PlusAPPPDfluorescent agent3-(2'-SpiroadamantanLUMI-PHOS PLUSPPDAMPPD Chemiluminescence Liquid2-dioxo-cyclohexane derivatives
Lumigen PPD(3-{3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetan]-3'-yl}phenoxy)phosphonic acidC18H23O7PAMPPD?3-(4-Methoxyspiro(1,2-dioxetane-3,2'-tricyclo(3.3.1.1(3,7))decan)-4-yl)phenyl phosphateorb1308654orb1940735SCHEMBL1425353
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Boiling point
- 548.6 · 548.6±60.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 1.21 · 1.21±0.30(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C18H23O7P/c1-22-18(13-3-2-4-16(10-13)23-26(19,20)21)17(24-25-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15H,5-9H2,1H3,(H2,19,20,21)
- InChIKey
- XYIPYISRNJUPBA-UHFFFAOYSA-N
- SMILES
- C1(OP(O)(O)=O)=CC=CC(C2(OC)OOC32C2CC4CC3CC(C4)C2)=C1
- CAS DataBase Reference
- 122341 · 122341-56-4
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Applications
Uses3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane is a hydrocarbon derivative and can be used as a chemiluminescent reagent.
UsesAMPPD, a 1,2-dioxo-cyclohexane derivative, is a biochemistry ultrasensitive alkaline phosphatase substrate.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
四川琢新生物材料研究有限公司028-61550113 13981882980 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]
Related reactions
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Compound notes
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