Formula |
C12H13N3O7 |
IUPAC Name |
5-[[(4s)-4-amino-4-carboxy-butanoyl]amino]-2-nitro-benzoic acid |
Molecular Mass |
311.248 g·mol−1 |
Heat of Formation |
-859.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.01 ± 1.08 D |
Volume |
339.25 Å 3 |
Surface Area |
305.12 Å 2 |
HOMO Energy |
-9.95 ± 0.55 eV |
LUMO Energy |
-1.59 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (s)-5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoic acid
- 5-[[(4s)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-2-nitrobenzoic acid
- 5-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-2-nitro-benzoic acid
- 5-[[(4s)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-2-nitro-benzoic acid
- 5-[[(4s)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-2-nitrobenzoic acid
- benzoic acid, 5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitro-, (s)-
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CAS Number(s) |
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InChIKey |
AHFFWTMLFDZSOF-QMMMGPOBSA-N |
QR Code |
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Links |
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DOI |
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Elements |
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