Formula |
C18H18N2O9 |
IUPAC Name |
(2r)-2-[(1r)-1-[[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-1-methoxy-2-oxo-ethyl]-5-methylene-2h-1,3-oxazine-4-carboxylic acid |
Molecular Mass |
406.344 g·mol−1 |
Heat of Formation |
-1275.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.41 ± 1.08 D |
Volume |
452.89 Å 3 |
Surface Area |
373.96 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GOYCBKVVHGALFQ-PJSAGSTRSA-N |
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Elements |
H
C
O
N
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