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Home > Nitro Compounds > 1607-17-6
1607-17-6 | 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1-nitrate
CAS No: 1607-17-6 Catalog No: AG001S59 MDL No:
Product Description
Catalog Number:
AG001S59
Chemical Name:
1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1-nitrate
CAS Number:
1607-17-6
Molecular Formula:
C5H9N3O10
Molecular Weight:
271.1391
IUPAC Name:
[2-(hydroxymethyl)-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
InChI:
InChI=1S/C5H9N3O10/c9-1-5(2-16-6(10)11,3-17-7(12)13)4-18-8(14)15/h9H,1-4H2
InChI Key:
BRBAEHHXGZRCBK-UHFFFAOYSA-N
SMILES:
OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
EC Number:
216-529-7
UNII:
4SL9HWA66P
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.138g/mol
Monoisotopic Mass:
271.029g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Cross-linking of serine racemase dimer by reactive oxygen species and reactive nitrogen species. | Journal of neuroscience research 20120601 |
| Bioactivation of pentaerythrityl tetranitrate by mitochondrial aldehyde dehydrogenase. | Molecular pharmacology 20110301 |
| NO donors. Part 18: Bioactive metabolites of GTN and PETN--synthesis and vasorelaxant properties. | Bioorganic & medicinal chemistry letters 20090601 |
| Degradation of pentaerythritol tetranitrate (PETN) by granular iron. | Environmental science & technology 20080615 |
| Differential effects of organic nitrates on endothelial progenitor cells are determined by oxidative stress. | Arteriosclerosis, thrombosis, and vascular biology 20070401 |
| [Silica-containing urinary stones--clinical issues to keep in mind]. | Der Urologe. Ausg. A 20050101 |
| Oxidative stress and mitochondrial aldehyde dehydrogenase activity: a comparison of pentaerythritol tetranitrate with other organic nitrates. | Molecular pharmacology 20041201 |
| [Therapy with NO donors-antiatherogenic and antioxidant actions]. | Herz 20040201 |
| Endothelial protection by pentaerithrityl trinitrate: bilirubin and carbon monoxide as possible mediators. | Experimental biology and medicine (Maywood, N.J.) 20030501 |
| Heme oxygenase-1 induction may explain the antioxidant profile of pentaerythrityl trinitrate. | Biochemical and biophysical research communications 20020208 |
| Sequence and properties of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2. | Journal of bacteriology 19961101 |
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