Formula |
C11H24N2O10P2S |
IUPAC Name |
[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate |
Molecular Mass |
438.328 g·mol−1 |
Heat of Formation |
-2545.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.39 ± 1.08 D |
Volume |
472.75 Å 3 |
Surface Area |
406.83 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-1.24 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate
- [(3r)-3-hydroxy-4-[[3-(2-mercaptoethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] phosphono hydrogen phosphate
- [(3r)-3-hydroxy-4-keto-4-[[3-keto-3-(2-mercaptoethylamino)propyl]amino]-2,2-dimethyl-butyl] phosphono hydrogen phosphate
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InChIKey |
UQURMDBHCKDEJS-VIFPVBQESA-N |
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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
S
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