Formula |
C13H19N2O7PS |
IUPAC Name |
(e)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-4-methylsulfanyl-but-2-enoic acid |
Molecular Mass |
378.338 g·mol−1 |
Heat of Formation |
-1434.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.21 ± 1.08 D |
Volume |
413.39 Å 3 |
Surface Area |
368.11 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
-0.63 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LPFNPHQQDYAHKU-QDEBKDIKSA-N |
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Links |
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Elements |
C
H
O
N
P
S
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