Formula |
C10H14BrN2O6P |
IUPAC Name |
[4-[[(2-bromoacetyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate |
Molecular Mass |
369.106 g·mol−1 |
Heat of Formation |
-1331.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.12 ± 1.08 D |
Volume |
343.43 Å 3 |
Surface Area |
299.17 Å 2 |
HOMO Energy |
-9.50 ± 0.55 eV |
LUMO Energy |
-0.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [4-[(2-bromoethanoylamino)methyl]-5-hydroxy-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
- [4-[[(2-bromo-1-oxoethyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate
- [4-[[(2-bromoacetyl)amino]methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
- acetamide, 2-bromo-n-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)-
- bromoacetylpyridoxamine phosphate
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CAS Number(s) |
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InChIKey |
PIWCJHVEBKZBOR-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
H
O
N
P
Br
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