(2S,3As,9Ar)-7-Ethyl-2-(Hydroxymethyl)-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidin-6-One
Properties
Property | Value |
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Formula | C11H14N2O4 |
IUPAC Name | (2s,3as,9ar)-7-ethyl-2-(hydroxymethyl)-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-9-ium-7-id-6-one |
Molecular Mass | 238.240 g·mol−1 |
Heat of Formation | -571.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.77 ± 1.08 D |
Volume | 269.61 Å 3 |
Surface Area | 234.85 Å 2 |
HOMO Energy | -9.50 ± 0.55 eV |
LUMO Energy | -0.34 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | ROUCYSJMIIFONE-OYNCUSHFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |