| Formula |
C22H20N4O8S2 |
| IUPAC Name |
(6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Mass |
532.546 g·mol−1 |
| Heat of Formation |
-748.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
27.14 ± 1.08 D |
| Volume |
554.55 Å 3 |
| Surface Area |
461.68 Å 2 |
| HOMO Energy |
-7.68 ± 0.55 eV |
| LUMO Energy |
-3.29 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (6r,7r)-3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2r)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-keto-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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| CAS Number(s) |
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| InChIKey |
SYLKGLMBLAAGSC-QLVMHMETSA-N |
| QR Code |
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| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
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