Formula |
C15H13ClN4O3 |
IUPAC Name |
(3s)-3-(2-amino-4-oxo-1,6-dihydropyrrolo[3,2-d]pyrimidine-3,5-diium-6-ylium-7-yl)-3-(3-chlorophenyl)propanoic acid |
Molecular Mass |
332.742 g·mol−1 |
Heat of Formation |
-305.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.48 ± 1.08 D |
Volume |
361.84 Å 3 |
Surface Area |
321.22 Å 2 |
HOMO Energy |
-9.15 ± 0.55 eV |
LUMO Energy |
-0.72 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3s)-3-(2-amino-4-keto-1,5-dihydropyrrolo[5,4-e]pyrimidin-7-yl)-3-(3-chlorophenyl)propionic acid
- (3s)-3-(2-amino-4-oxo-1,5-dihydropyrrolo[5,4-e]pyrimidin-7-yl)-3-(3-chlorophenyl)propanoic acid
- 3-(2-amino-4-oxo-3h,5h-pyrrolo(3,2-d)pyrimidin-7-yl)-3-(3-chlorophenyl)propanoic acid
- 3-aopp-3-clphpa
- 9-(1-(3-chlorophenyl)-2-carboxyethyl)-9-deazaguanine
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CAS Number(s) |
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InChIKey |
YDWZQOZLILLLMU-VIFPVBQESA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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