Formula |
C20H23N7O7 |
IUPAC Name |
(2s)-2-[[4-[[(6s)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
473.439 g·mol−1 |
Heat of Formation |
-976.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.72 ± 1.08 D |
Volume |
524.37 Å 3 |
Surface Area |
452.99 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
-1.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[[(6s)-2-amino-4-keto-5-methylol-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[[(6s)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[[4-[[(6s)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
- 5-hydroxymethylene-6-hydrofolic acid
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InChIKey |
IIEPLRAFVCMHQF-STQMWFEESA-N |
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Elements |
H
C
O
N
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