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About This Item
Linear Formula:
[(CH3CH2CH2CH2)4N+]3[O=P(O-)2OP(=O)(O-)OH]
CAS Number:
Molecular Weight:
902.34
UNSPSC Code:
12352116
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4632762
Assay:
≥97.0% (calc. on dry substance, T)
Form:
crystals
Quality Level
assay
≥97.0% (calc. on dry substance, T)
form
crystals
reaction suitability
core: ammonium
impurities
≤8% water
functional group
amine, phosphate
storage temp.
2-8°C
SMILES string
OP([O-])(=O)OP([O-])([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
InChI
1S/3C16H36N.H4O7P2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2,3)7-9(4,5)6/h3*5-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3
InChI key
BMTUFQKYWWLCLC-UHFFFAOYSA-K
Application
- The Role of the Maleimide Ring System on the Structure-Activity Relationship of Showdomycin: Discusses unexpected triphosphorylation involving Tris(tetrabutylammonium) hydrogen pyrophosphate (P Rosenqvist et al. - European Journal of Organic Chemistry, 2022).
- Chemical Approaches to Inhibitors of Isoprenoid Biosynthesis: Mentions the reduction of ester group in the context of pyrophosphate chemistry (P Merino et al. - RSC Advances, 2017).
- Emissive Synthetic Cofactors: Involves Tris(tetrabutylammonium) hydrogen pyrophosphate in the synthesis of an ATP analog (J Feldmann, Y Li, Y Tor - Chemistry-A European Journal, 2019).
Other Notes
Reagent for pyrophosphorylation; reaction of isoprenoid derivatives; Pyrophosphorylation of nucleosides; Triphosphorylation of nucleosides
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Synthesis of allylic and homoallylic isoprenoid pyrophosphates.
V J Davisson et al.
Methods in enzymology, 110, 130-144 (1985-01-01)
V.J. Davisson et al.
The Journal of Organic Chemistry, 52, 1794-1794 (1987)
The Journal of Organic Chemistry, 51, 4768-4768 (1986)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 93397-5G | 04061833282724 |
| 93397-25G | 04061833418222 |
