Formula |
C19H18N6O6S |
IUPAC Name |
(2s)-2-[[4-[(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid |
Molecular Mass |
458.448 g·mol−1 |
Heat of Formation |
-804.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.22 ± 1.08 D |
Volume |
498.64 Å 3 |
Surface Area |
377.56 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-1.48 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[(2-amino-4-keto-1h-pteridin-6-yl)methylthio]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
- (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylsulfanyl]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylthio]phenyl]-oxomethyl]amino]pentanedioic acid
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InChIKey |
VUCAAEQMBTVEOL-LBPRGKRZSA-N |
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Links |
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Elements |
H
S
C
O
N
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