Formula |
C21H22N2O6 |
IUPAC Name |
5-[(3-benzyloxyphenyl)methyl]-6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione |
Molecular Mass |
398.409 g·mol−1 |
Heat of Formation |
-882.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.04 ± 1.08 D |
Volume |
456.74 Å 3 |
Surface Area |
374.1 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
2.56 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione
- 5-[3-(benzyloxy)benzyl]-6-hydroxy-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone
- 6-hydroxy-1-(2-hydroxyethoxymethyl)-5-[[3-(phenylmethoxy)phenyl]methyl]pyrimidine-2,4-dione
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InChIKey |
CAWXCABXSPTFRN-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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