Formula |
C8H9NO6S |
IUPAC Name |
(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen sulfate |
Molecular Mass |
247.225 g·mol−1 |
Heat of Formation |
-897.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.04 ± 1.08 D |
Volume |
252.35 Å 3 |
Surface Area |
237.26 Å 2 |
HOMO Energy |
-9.77 ± 0.55 eV |
LUMO Energy |
-0.93 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen sulfate
- (5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl hydrogen sulfate
- 4-pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((sulfooxy)methyl)-
- pyridoxal 5'-sulfate
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CAS Number(s) |
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InChIKey |
OJQQRWWUNXTWER-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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