Formula |
C13H24NO10PS3 |
IUPAC Name |
(2s,3r)-3-dihydroxyphosphoryloxy-2-[[(e)-7-(2-hydroxysulfonylethyldisulfanyl)hept-2-enoyl]amino]butanoic acid |
Molecular Mass |
481.499 g·mol−1 |
Heat of Formation |
-2189.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.63 ± 1.08 D |
Volume |
518.75 Å 3 |
Surface Area |
465.53 Å 2 |
HOMO Energy |
-9.22 ± 0.55 eV |
LUMO Energy |
-1.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s,3r)-2-[[(e)-1-oxo-7-(2-sulfoethyldisulfanyl)hept-2-enyl]amino]-3-phosphonooxybutanoic acid
- (2s,3r)-3-phosphonooxy-2-[[(e)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butanoic acid
- (2s,3r)-3-phosphonooxy-2-[[(e)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butyric acid
- o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine
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InChIKey |
CVQZOMWKHKTFCZ-UIALCFJWSA-N |
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Links |
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Elements |
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