Formula |
C10H18N2O8P2 |
IUPAC Name |
[(1r)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]ethyl]phosphonic acid |
Molecular Mass |
356.206 g·mol−1 |
Heat of Formation |
-1914.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.69 ± 1.08 D |
Volume |
380.17 Å 3 |
Surface Area |
328.99 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
-0.31 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [(1r)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]ethyl]phosphonic acid
- [(1r)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethyl]phosphonic acid
- in5
- {1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid
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InChIKey |
WHDCJKAOZPBUAY-SSDOTTSWSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
P
C
H
O
N
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