Formula |
C27H27N9O6 |
IUPAC Name |
2-[[(4r)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid |
Molecular Mass |
573.560 g·mol−1 |
Heat of Formation |
-607.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.40 ± 1.08 D |
Volume |
651.26 Å 3 |
Surface Area |
557.47 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-1.19 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NYQPLPNEESYGNO-LJQANCHMSA-N |
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Elements |
H
C
O
N
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